4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

C208H152N10 — CID 162228540

IUPAC4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C76H59N3.C72H50N4.C60H43N3/c1-52-20-32-66(33-21-52)77(67-34-22-53(2)23-35-67)71-47-65(48-72(51-71)78(68-36-24-54(3)25-37-68)69-38-26-55(4)27-39-69)64-45-62(58-18-12-7-13-19-58)44-63(46-64)61-31-43-76-74(50-61)73-49-60(57-16-10-6-11-17-57)30-42-75(73)79(76)70-40-28-59(29-41-70)56-14-8-5-9-15-56;1-6-22-57(23-7-1)73(58-24-8-2-9-25-58)62-39-41-63(42-40-62)74(59-26-10-3-11-27-59)64-32-20-21-51(48-64)54-45-55(52-37-43-71-67(49-52)65-33-16-18-35-69(65)75(71)60-28-12-4-13-29-60)47-56(46-54)53-38-44-72-68(50-53)66-34-17-19-36-70(66)76(72)61-30-14-5-15-31-61;1-7-21-44(22-8-1)46-37-47(45-35-36-60-58(42-45)57-33-19-20-34-59(57)63(60)54-31-17-6-18-32-54)39-48(38-46)49-40-55(61(50-23-9-2-10-24-50)51-25-11-3-12-26-51)43-56(41-49)62(52-27-13-4-14-28-52)53-29-15-5-16-30-53/h5-51H,1-4H3;1-50H;1-43H
InChIKeyZVCCEBLAGMBEAV-UHFFFAOYSA-N
MW2791.57 g/mol
LogP57.84
Rot. Bonds33

About 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (PubChem CID 162228540) has the molecular formula C208H152N10 and a molecular weight of 2791.57 g/mol. Its IUPAC name is 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
PubChem CID162228540
Molecular FormulaC208H152N10
Molecular Weight2791.57 g/mol
Exact Mass2789.22
IUPAC Name4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C76H59N3.C72H50N4.C60H43N3/c1-52-20-32-66(33-21-52)77(67-34-22-53(2)23-35-67)71-47-65(48-72(51-71)78(68-36-24-54(3)25-37-68)69-38-26-55(4)27-39-69)64-45-62(58-18-12-7-13-19-58)44-63(46-64)61-31-43-76-74(50-61)73-49-60(57-16-10-6-11-17-57)30-42-75(73)79(76)70-40-28-59(29-41-70)56-14-8-5-9-15-56;1-6-22-57(23-7-1)73(58-24-8-2-9-25-58)62-39-41-63(42-40-62)74(59-26-10-3-11-27-59)64-32-20-21-51(48-64)54-45-55(52-37-43-71-67(49-52)65-33-16-18-35-69(65)75(71)60-28-12-4-13-29-60)47-56(46-54)53-38-44-72-68(50-53)66-34-17-19-36-70(66)76(72)61-30-14-5-15-31-61;1-7-21-44(22-8-1)46-37-47(45-35-36-60-58(42-45)57-33-19-20-34-59(57)63(60)54-31-17-6-18-32-54)39-48(38-46)49-40-55(61(50-23-9-2-10-24-50)51-25-11-3-12-26-51)43-56(41-49)62(52-27-13-4-14-28-52)53-29-15-5-16-30-53/h5-51H,1-4H3;1-50H;1-43H
InChIKeyZVCCEBLAGMBEAV-UHFFFAOYSA-N
XLogP57.84
TPSA39.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds33
Heavy Atoms218
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002791.57
LogP ≤ 557.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (CID 162228540) is 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccccc5)cc4)c3)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The InChIKey is ZVCCEBLAGMBEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H59N3.C72H50N4.C60H43N3/c1-52-20-32-66(33-21-52)77(67-34-22-53(2)23-35-67)71-47-65(48-72(51-71)78(68-36-24-54(3)25-37-68)69-38-26-55(4)27-39-69)64-45-62(58-18-12-7-13-19-58)44-63(46-64)61-31-43-76-74(50-61)73-49-60(57-16-10-6-11-17-57)30-42-75(73)79(76)70-40-28-59(29-41-70)56-14-8-5-9-15-56;1-6-22-57(23-7-1)73(58-24-8-2-9-25-58)62-39-41-63(42-40-62)74(59-26-10-3-11-27-59)64-32-20-21-51(48-64)54-45-55(52-37-43-71-67(49-52)65-33-16-18-35-69(65)75(71)60-28-12-4-13-29-60)47-56(46-54)53-38-44-72-68(50-53)66-34-17-19-36-70(66)76(72)61-30-14-5-15-31-61;1-7-21-44(22-8-1)46-37-47(45-35-36-60-58(42-45)57-33-19-20-34-59(57)63(60)54-31-17-6-18-32-54)39-48(38-46)49-40-55(61(50-23-9-2-10-24-50)51-25-11-3-12-26-51)43-56(41-49)62(52-27-13-4-14-28-52)53-29-15-5-16-30-53/h5-51H,1-4H3;1-50H;1-43H.
What are the key properties of 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine has a molecular weight of 2791.57 g/mol, XLogP of 57.84, 33 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 162228540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).