10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C51H31N5 — CID 163766201

IUPAC10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3c(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cccc3c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)n4)c32)cc1
InChIInChI=1S/C51H31N5/c1-2-14-34(15-3-1)55-49-35(32-28-41-36-16-4-6-24-47(36)56-48-25-7-5-17-37(48)42(29-32)51(41)56)18-12-19-38(49)39-20-13-21-40(50(39)55)45-30-33(43-22-8-10-26-52-43)31-46(54-45)44-23-9-11-27-53-44/h1-31H
InChIKeyMCMDRGGGHMUMTO-UHFFFAOYSA-N
MW713.84 g/mol
LogP12.79
Rot. Bonds5

About 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 163766201) has the molecular formula C51H31N5 and a molecular weight of 713.84 g/mol. Its IUPAC name is 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID163766201
Molecular FormulaC51H31N5
Molecular Weight713.84 g/mol
Exact Mass713.26
IUPAC Name10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3c(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cccc3c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)n4)c32)cc1
InChIInChI=1S/C51H31N5/c1-2-14-34(15-3-1)55-49-35(32-28-41-36-16-4-6-24-47(36)56-48-25-7-5-17-37(48)42(29-32)51(41)56)18-12-19-38(49)39-20-13-21-40(50(39)55)45-30-33(43-22-8-10-26-52-43)31-46(54-45)44-23-9-11-27-53-44/h1-31H
InChIKeyMCMDRGGGHMUMTO-UHFFFAOYSA-N
XLogP12.79
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

5,10-bis(4,6-dipyridin-2-yl-2-pyridinyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene
CID 164839242
5-phenyl-7-[9-[3-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]carbazol-1-yl]pyrido[3,2-b]indole
CID 158151336
9,18-diphenyl-13-(6-pyridin-2-ylnaphthalen-1-yl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20,22,24,26-tridecaene
CID 134184019
21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
CID 177095574
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 148608191
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177
10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118547604
9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158404712
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221411

Frequently Asked Questions

What is the IUPAC name of 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 163766201) is 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-n2c3c(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cccc3c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)n4)c32)cc1.
What is the InChIKey of 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is MCMDRGGGHMUMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5/c1-2-14-34(15-3-1)55-49-35(32-28-41-36-16-4-6-24-47(36)56-48-25-7-5-17-37(48)42(29-32)51(41)56)18-12-19-38(49)39-20-13-21-40(50(39)55)45-30-33(43-22-8-10-26-52-43)31-46(54-45)44-23-9-11-27-53-44/h1-31H.
What are the key properties of 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 713.84 g/mol, XLogP of 12.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(4,6-dipyridin-2-yl-2-pyridinyl)-9-phenylcarbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 163766201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).