20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine

C84H62N6S — CID 163545071

IUPAC20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
SMILESC1=CCCC(N(c2ccccc2)c2ccc3c(c2)c2c4sc5c(ccc6c5c5cc(N(c7ccccc7)C7C=CC=CC7)ccc5n6-c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)c4ccc2n3-c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)=C1
InChIInChI=1S/C84H62N6S/c1-7-23-55(24-8-1)85(56-25-9-2-10-26-56)61-39-47-77-71(53-61)81-79(89(77)63-41-45-75-69(51-63)65-35-19-21-37-73(65)87(75)59-31-15-5-16-32-59)49-43-67-68-44-50-80-82(84(68)91-83(67)81)72-54-62(86(57-27-11-3-12-28-57)58-29-13-4-14-30-58)40-48-78(72)90(80)64-42-46-76-70(52-64)66-36-20-22-38-74(66)88(76)60-33-17-6-18-34-60/h1-13,15-20,23-25,27-29,31-36,39-54,56H,14,21-22,26,30,37-38H2
InChIKeyFEJCZSPTDKHTTN-UHFFFAOYSA-N
MW1187.53 g/mol
LogP22.45
Rot. Bonds10

About 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine

20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine (PubChem CID 163545071) has the molecular formula C84H62N6S and a molecular weight of 1187.53 g/mol. Its IUPAC name is 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine.

Molecular Properties

Compound Name20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
PubChem CID163545071
Molecular FormulaC84H62N6S
Molecular Weight1187.53 g/mol
Exact Mass1186.48
IUPAC Name20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
SMILESC1=CCCC(N(c2ccccc2)c2ccc3c(c2)c2c4sc5c(ccc6c5c5cc(N(c7ccccc7)C7C=CC=CC7)ccc5n6-c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)c4ccc2n3-c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)=C1
InChIInChI=1S/C84H62N6S/c1-7-23-55(24-8-1)85(56-25-9-2-10-26-56)61-39-47-77-71(53-61)81-79(89(77)63-41-45-75-69(51-63)65-35-19-21-37-73(65)87(75)59-31-15-5-16-32-59)49-43-67-68-44-50-80-82(84(68)91-83(67)81)72-54-62(86(57-27-11-3-12-28-57)58-29-13-4-14-30-58)40-48-78(72)90(80)64-42-46-76-70(52-64)66-36-20-22-38-74(66)88(76)60-33-17-6-18-34-60/h1-13,15-20,23-25,27-29,31-36,39-54,56H,14,21-22,26,30,37-38H2
InChIKeyFEJCZSPTDKHTTN-UHFFFAOYSA-N
XLogP22.45
TPSA26.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.53
LogP ≤ 522.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
CID 144831039
3-N-cyclohexa-2,4-dien-1-yl-9-[2-[6-(N-cyclohexa-1,3-dien-1-ylanilino)-3-(N-phenylanilino)-1,2-dihydrocarbazol-9-yl]cyclobutyl]-3-N,6-N,6-N-triphenylcarbazole-3,6-diamine
CID 170177812
10-N,20-N-dinaphthalen-2-yl-10-N,20-N,6,24-tetraphenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,26-undecaene-10,20-diamine
CID 163513929
7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine
CID 163561901
N-cyclohexa-2,4-dien-1-yl-4-[27-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-18-[4-(N-phenylanilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]-N-phenylaniline
CID 131994501
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 71016335
N-cyclohexa-2,4-dien-1-yl-N-[4-[4'-[4-(N-[3-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]phenyl]-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)aniline
CID 88985239
N-cyclohexa-1,3-dien-1-yl-9-[4-(2,7-dimethyl-2,3,7,8-tetrahydro-1H-cyclopenta[b][1,4]benzothiazin-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]-7,8-dihydrocarbazol-2-amine
CID 130250133
10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 88856281
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-4-yl-7,8-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163576681
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine
CID 168814011
3-N-cyclohexa-2,4-dien-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 129300989

Frequently Asked Questions

What is the IUPAC name of 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
The IUPAC name of 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine (CID 163545071) is 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine.
What is the SMILES notation for 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
The canonical SMILES for 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine is C1=CCCC(N(c2ccccc2)c2ccc3c(c2)c2c4sc5c(ccc6c5c5cc(N(c7ccccc7)C7C=CC=CC7)ccc5n6-c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)c4ccc2n3-c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)=C1.
What is the InChIKey of 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
The InChIKey is FEJCZSPTDKHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H62N6S/c1-7-23-55(24-8-1)85(56-25-9-2-10-26-56)61-39-47-77-71(53-61)81-79(89(77)63-41-45-75-69(51-63)65-35-19-21-37-73(65)87(75)59-31-15-5-16-32-59)49-43-67-68-44-50-80-82(84(68)91-83(67)81)72-54-62(86(57-27-11-3-12-28-57)58-29-13-4-14-30-58)40-48-78(72)90(80)64-42-46-76-70(52-64)66-36-20-22-38-74(66)88(76)60-33-17-6-18-34-60/h1-13,15-20,23-25,27-29,31-36,39-54,56H,14,21-22,26,30,37-38H2.
What are the key properties of 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine?
20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine has a molecular weight of 1187.53 g/mol, XLogP of 22.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine is sourced from PubChem (CID 163545071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).