9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine

C310H208N32O2S2 — CID 161453605

IUPAC9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nccnc23)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2nccnc12.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c2nccnc12
InChIInChI=1S/C80H56N8.C62H46N6.C56H34N6O2.C56H34N6S2.C56H38N6/c1-9-25-57(26-10-1)83(58-27-11-2-12-28-58)65-41-45-73-69(53-65)70-54-66(84(59-29-13-3-14-30-59)60-31-15-4-16-32-60)42-46-74(70)87(73)77-49-50-78(80-79(77)81-51-52-82-80)88-75-47-43-67(85(61-33-17-5-18-34-61)62-35-19-6-20-36-62)55-71(75)72-56-68(44-48-76(72)88)86(63-37-21-7-22-38-63)64-39-23-8-24-40-64;1-61(2)45-19-7-13-25-53(45)65(54-26-14-8-20-46(54)61)39-29-31-51-43(37-39)41-17-5-11-23-49(41)67(51)57-33-34-58(60-59(57)63-35-36-64-60)68-50-24-12-6-18-42(50)44-38-40(30-32-52(44)68)66-55-27-15-9-21-47(55)62(3,4)48-22-10-16-28-56(48)66;2*1-3-15-41-37(13-1)39-33-35(59-45-17-5-9-21-51(45)63-52-22-10-6-18-46(52)59)25-27-43(39)61(41)49-29-30-50(56-55(49)57-31-32-58-56)62-42-16-4-2-14-38(42)40-34-36(26-28-44(40)62)60-47-19-7-11-23-53(47)64-54-24-12-8-20-48(54)60;1-5-17-39(18-6-1)59(40-19-7-2-8-20-40)43-29-31-51-47(37-43)45-25-13-15-27-49(45)61(51)53-33-34-54(56-55(53)57-35-36-58-56)62-50-28-16-14-26-46(50)48-38-44(30-32-52(48)62)60(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-56H;5-38H,1-4H3;2*1-34H;1-38H
InChIKeyWAVXLHJXAZMXCE-UHFFFAOYSA-N
MW4477.43 g/mol
LogP83.18
Rot. Bonds34

About 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine

9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine (PubChem CID 161453605) has the molecular formula C310H208N32O2S2 and a molecular weight of 4477.43 g/mol. Its IUPAC name is 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine.

Molecular Properties

Compound Name9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine
PubChem CID161453605
Molecular FormulaC310H208N32O2S2
Molecular Weight4477.43 g/mol
Exact Mass4473.66
IUPAC Name9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nccnc23)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2nccnc12.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c2nccnc12
InChIInChI=1S/C80H56N8.C62H46N6.C56H34N6O2.C56H34N6S2.C56H38N6/c1-9-25-57(26-10-1)83(58-27-11-2-12-28-58)65-41-45-73-69(53-65)70-54-66(84(59-29-13-3-14-30-59)60-31-15-4-16-32-60)42-46-74(70)87(73)77-49-50-78(80-79(77)81-51-52-82-80)88-75-47-43-67(85(61-33-17-5-18-34-61)62-35-19-6-20-36-62)55-71(75)72-56-68(44-48-76(72)88)86(63-37-21-7-22-38-63)64-39-23-8-24-40-64;1-61(2)45-19-7-13-25-53(45)65(54-26-14-8-20-46(54)61)39-29-31-51-43(37-39)41-17-5-11-23-49(41)67(51)57-33-34-58(60-59(57)63-35-36-64-60)68-50-24-12-6-18-42(50)44-38-40(30-32-52(44)68)66-55-27-15-9-21-47(55)62(3,4)48-22-10-16-28-56(48)66;2*1-3-15-41-37(13-1)39-33-35(59-45-17-5-9-21-51(45)63-52-22-10-6-18-46(52)59)25-27-43(39)61(41)49-29-30-50(56-55(49)57-31-32-58-56)62-42-16-4-2-14-38(42)40-34-36(26-28-44(40)62)60-47-19-7-11-23-53(47)64-54-24-12-8-20-48(54)60;1-5-17-39(18-6-1)59(40-19-7-2-8-20-40)43-29-31-51-47(37-43)45-25-13-15-27-49(45)61(51)53-33-34-54(56-55(53)57-35-36-58-56)62-50-28-16-14-26-46(50)48-38-44(30-32-52(48)62)60(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-56H;5-38H,1-4H3;2*1-34H;1-38H
InChIKeyWAVXLHJXAZMXCE-UHFFFAOYSA-N
XLogP83.18
TPSA235.54 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms346
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004477.43
LogP ≤ 583.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
The IUPAC name of 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine (CID 161453605) is 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine.
What is the SMILES notation for 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
The canonical SMILES for 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nccnc23)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c2nccnc12.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5Sc5ccccc54)ccc32)c2nccnc12.
What is the InChIKey of 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
The InChIKey is WAVXLHJXAZMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N8.C62H46N6.C56H34N6O2.C56H34N6S2.C56H38N6/c1-9-25-57(26-10-1)83(58-27-11-2-12-28-58)65-41-45-73-69(53-65)70-54-66(84(59-29-13-3-14-30-59)60-31-15-4-16-32-60)42-46-74(70)87(73)77-49-50-78(80-79(77)81-51-52-82-80)88-75-47-43-67(85(61-33-17-5-18-34-61)62-35-19-6-20-36-62)55-71(75)72-56-68(44-48-76(72)88)86(63-37-21-7-22-38-63)64-39-23-8-24-40-64;1-61(2)45-19-7-13-25-53(45)65(54-26-14-8-20-46(54)61)39-29-31-51-43(37-39)41-17-5-11-23-49(41)67(51)57-33-34-58(60-59(57)63-35-36-64-60)68-50-24-12-6-18-42(50)44-38-40(30-32-52(44)68)66-55-27-15-9-21-47(55)62(3,4)48-22-10-16-28-56(48)66;2*1-3-15-41-37(13-1)39-33-35(59-45-17-5-9-21-51(45)63-52-22-10-6-18-46(52)59)25-27-43(39)61(41)49-29-30-50(56-55(49)57-31-32-58-56)62-42-16-4-2-14-38(42)40-34-36(26-28-44(40)62)60-47-19-7-11-23-53(47)64-54-24-12-8-20-48(54)60;1-5-17-39(18-6-1)59(40-19-7-2-8-20-40)43-29-31-51-47(37-43)45-25-13-15-27-49(45)61(51)53-33-34-54(56-55(53)57-35-36-58-56)62-50-28-16-14-26-46(50)48-38-44(30-32-52(48)62)60(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-56H;5-38H,1-4H3;2*1-34H;1-38H.
What are the key properties of 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine?
9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine has a molecular weight of 4477.43 g/mol, XLogP of 83.18, 34 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3,6-bis(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;10-[9-[8-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-yl]-9,9-dimethylacridine;N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine;10-[9-[8-(3-phenothiazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenothiazine;10-[9-[8-(3-phenoxazin-10-ylcarbazol-9-yl)quinoxalin-5-yl]carbazol-3-yl]phenoxazine is sourced from PubChem (CID 161453605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).