N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine

C90H54N4S2 — CID 138745116

IUPACN-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2c3c4cccc5c6ccc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8n(c23)c76)c54)cc1
InChIInChI=1S/C90H54N4S2/c1-5-21-57(22-6-1)81-83-73-35-17-31-69-66-52-46-60(56-43-49-64(50-44-56)92(62-27-11-4-12-28-62)76-38-20-34-72-68-30-14-16-40-80(68)96-90(72)76)54-78(66)94(85(69)73)88(83)82(58-23-7-2-8-24-58)84-74-36-18-32-70-65-51-45-59(53-77(65)93(86(70)74)87(81)84)55-41-47-63(48-42-55)91(61-25-9-3-10-26-61)75-37-19-33-71-67-29-13-15-39-79(67)95-89(71)75/h1-54H
InChIKeyHPEUNSVYEIATTH-UHFFFAOYSA-N
MW1255.58 g/mol
LogP26.33
Rot. Bonds10

About N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine

N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 138745116) has the molecular formula C90H54N4S2 and a molecular weight of 1255.58 g/mol. Its IUPAC name is N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID138745116
Molecular FormulaC90H54N4S2
Molecular Weight1255.58 g/mol
Exact Mass1254.38
IUPAC NameN-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2c3c4cccc5c6ccc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8n(c23)c76)c54)cc1
InChIInChI=1S/C90H54N4S2/c1-5-21-57(22-6-1)81-83-73-35-17-31-69-66-52-46-60(56-43-49-64(50-44-56)92(62-27-11-4-12-28-62)76-38-20-34-72-68-30-14-16-40-80(68)96-90(72)76)54-78(66)94(85(69)73)88(83)82(58-23-7-2-8-24-58)84-74-36-18-32-70-65-51-45-59(53-77(65)93(86(70)74)87(81)84)55-41-47-63(48-42-55)91(61-25-9-3-10-26-61)75-37-19-33-71-67-29-13-15-39-79(67)95-89(71)75/h1-54H
InChIKeyHPEUNSVYEIATTH-UHFFFAOYSA-N
XLogP26.33
TPSA15.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.58
LogP ≤ 526.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine with MolForge

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Related Compounds

8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 159421757
8-N,23-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-di(dibenzothiophen-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 162139648
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167397690
N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 169062004
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781972
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782012
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168782146

Frequently Asked Questions

What is the IUPAC name of N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine (CID 138745116) is N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine is c1ccc(-c2c3c4cccc5c6ccc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8n(c23)c76)c54)cc1.
What is the InChIKey of N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is HPEUNSVYEIATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N4S2/c1-5-21-57(22-6-1)81-83-73-35-17-31-69-66-52-46-60(56-43-49-64(50-44-56)92(62-27-11-4-12-28-62)76-38-20-34-72-68-30-14-16-40-80(68)96-90(72)76)54-78(66)94(85(69)73)88(83)82(58-23-7-2-8-24-58)84-74-36-18-32-70-65-51-45-59(53-77(65)93(86(70)74)87(81)84)55-41-47-63(48-42-55)91(61-25-9-3-10-26-61)75-37-19-33-71-67-29-13-15-39-79(67)95-89(71)75/h1-54H.
What are the key properties of N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 1255.58 g/mol, XLogP of 26.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 138745116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).