9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine

C78H54N6 — CID 163675377

IUPAC9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine
SMILESC1=CC(N(c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)c2ccc3c(c2)c2cccc4c5cc6c(cc5n3c24)c2cccc3c4c(n6c32)=CCC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=4)=CCC1
InChIInChI=1S/C78H54N6/c1-5-19-49(20-6-1)79(53-35-39-71-63(43-53)57-27-13-15-33-69(57)81(71)51-23-9-3-10-24-51)55-37-41-73-65(45-55)59-29-17-31-61-67-48-76-68(47-75(67)83(73)77(59)61)62-32-18-30-60-66-46-56(38-42-74(66)84(76)78(60)62)80(50-21-7-2-8-22-50)54-36-40-72-64(44-54)58-28-14-16-34-70(58)82(72)52-25-11-4-12-26-52/h1,3-7,9-15,17-33,35-36,38-48,55H,2,8,16,34,37H2
InChIKeyJGFKDDZZFZLPAX-UHFFFAOYSA-N
MW1075.33 g/mol
LogP18.38
Rot. Bonds8

About 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine

9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine (PubChem CID 163675377) has the molecular formula C78H54N6 and a molecular weight of 1075.33 g/mol. Its IUPAC name is 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine.

Molecular Properties

Compound Name9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine
PubChem CID163675377
Molecular FormulaC78H54N6
Molecular Weight1075.33 g/mol
Exact Mass1074.44
IUPAC Name9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine
SMILESC1=CC(N(c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)c2ccc3c(c2)c2cccc4c5cc6c(cc5n3c24)c2cccc3c4c(n6c32)=CCC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=4)=CCC1
InChIInChI=1S/C78H54N6/c1-5-19-49(20-6-1)79(53-35-39-71-63(43-53)57-27-13-15-33-69(57)81(71)51-23-9-3-10-24-51)55-37-41-73-65(45-55)59-29-17-31-61-67-48-76-68(47-75(67)83(73)77(59)61)62-32-18-30-60-66-46-56(38-42-74(66)84(76)78(60)62)80(50-21-7-2-8-22-50)54-36-40-72-64(44-54)58-28-14-16-34-70(58)82(72)52-25-11-4-12-26-52/h1,3-7,9-15,17-33,35-36,38-48,55H,2,8,16,34,37H2
InChIKeyJGFKDDZZFZLPAX-UHFFFAOYSA-N
XLogP18.38
TPSA25.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.33
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine with MolForge

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Related Compounds

3-N-(4a,9a-dihydroanthracen-2-yl)-6-N-anthracen-2-yl-9-phenyl-6-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole-3,6-diamine
CID 89234878
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
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
5-(N-(4-methylcyclohexa-1,5-dien-1-yl)anilino)-17-(N-(9-phenylcarbazol-3-yl)anilino)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 163669899
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
CID 118963240
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
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-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371

Frequently Asked Questions

What is the IUPAC name of 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine?
The IUPAC name of 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine (CID 163675377) is 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine.
What is the SMILES notation for 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine?
The canonical SMILES for 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine is C1=CC(N(c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)c2ccc3c(c2)c2cccc4c5cc6c(cc5n3c24)c2cccc3c4c(n6c32)=CCC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=4)=CCC1.
What is the InChIKey of 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine?
The InChIKey is JGFKDDZZFZLPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N6/c1-5-19-49(20-6-1)79(53-35-39-71-63(43-53)57-27-13-15-33-69(57)81(71)51-23-9-3-10-24-51)55-37-41-73-65(45-55)59-29-17-31-61-67-48-76-68(47-75(67)83(73)77(59)61)62-32-18-30-60-66-46-56(38-42-74(66)84(76)78(60)62)80(50-21-7-2-8-22-50)54-36-40-72-64(44-54)58-28-14-16-34-70(58)82(72)52-25-11-4-12-26-52/h1,3-7,9-15,17-33,35-36,38-48,55H,2,8,16,34,37H2.
What are the key properties of 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine?
9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine has a molecular weight of 1075.33 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-cyclohexa-1,5-dien-1-yl-24-N-phenyl-24-N-(9-phenylcarbazol-3-yl)-9-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12(32),13,15,18,21,25,27,29-tetradecaene-9,24-diamine is sourced from PubChem (CID 163675377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).