6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

C60H40N4S2 — CID 162475625

IUPAC6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)sc3c4ccc4c3ccc3c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7C)cc5sc34)ccc21
InChIInChI=1S/C60H40N4S2/c1-61-53-19-11-9-17-43(53)51-33-39(23-31-55(51)61)63(37-13-5-3-6-14-37)41-21-25-45-47-27-29-50-49(59(47)65-57(45)35-41)30-28-48-46-26-22-42(36-58(46)66-60(48)50)64(38-15-7-4-8-16-38)40-24-32-56-52(34-40)44-18-10-12-20-54(44)62(56)2/h3-36H,1-2H3
InChIKeyFKRYQUIEWFJUAV-UHFFFAOYSA-N
MW881.14 g/mol
LogP17.81
Rot. Bonds6

About 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (PubChem CID 162475625) has the molecular formula C60H40N4S2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
PubChem CID162475625
Molecular FormulaC60H40N4S2
Molecular Weight881.14 g/mol
Exact Mass880.27
IUPAC Name6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)sc3c4ccc4c3ccc3c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7C)cc5sc34)ccc21
InChIInChI=1S/C60H40N4S2/c1-61-53-19-11-9-17-43(53)51-33-39(23-31-55(51)61)63(37-13-5-3-6-14-37)41-21-25-45-47-27-29-50-49(59(47)65-57(45)35-41)30-28-48-46-26-22-42(36-58(46)66-60(48)50)64(38-15-7-4-8-16-38)40-24-32-56-52(34-40)44-18-10-12-20-54(44)62(56)2/h3-36H,1-2H3
InChIKeyFKRYQUIEWFJUAV-UHFFFAOYSA-N
XLogP17.81
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
5-N,5-N,18-N,18-N-tetraphenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121259965
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
9-dibenzothiophen-4-yl-2-N-[7-(N-(3-methylphenyl)anilino)dibenzothiophen-2-yl]-2-N,6-N,6-N-triphenylcarbazole-2,6-diamine
CID 129194378
N,N-diphenyl-28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464973
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372111
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-diphenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260229

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (CID 162475625) is 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)sc3c4ccc4c3ccc3c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7C)cc5sc34)ccc21.
What is the InChIKey of 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The InChIKey is FKRYQUIEWFJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4S2/c1-61-53-19-11-9-17-43(53)51-33-39(23-31-55(51)61)63(37-13-5-3-6-14-37)41-21-25-45-47-27-29-50-49(59(47)65-57(45)35-41)30-28-48-46-26-22-42(36-58(46)66-60(48)50)64(38-15-7-4-8-16-38)40-24-32-56-52(34-40)44-18-10-12-20-54(44)62(56)2/h3-36H,1-2H3.
What are the key properties of 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine has a molecular weight of 881.14 g/mol, XLogP of 17.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is sourced from PubChem (CID 162475625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).