14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene

C44H31N3 — CID 146300888

IUPAC14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene
SMILESc1ccc(C2CCc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3cc4c(cc32)nc2ccccn24)cc1
InChIInChI=1S/C44H31N3/c1-3-11-29(12-4-1)34-22-20-30-18-19-31(25-36(30)38-28-43-40(27-37(34)38)45-44-17-9-10-24-46(43)44)32-21-23-42-39(26-32)35-15-7-8-16-41(35)47(42)33-13-5-2-6-14-33/h1-19,21,23-28,34H,20,22H2
InChIKeyJNIDJJJSDGVTGN-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.00
Rot. Bonds3

About 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene

14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene (PubChem CID 146300888) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene.

Molecular Properties

Compound Name14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene
PubChem CID146300888
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene
SMILESc1ccc(C2CCc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3cc4c(cc32)nc2ccccn24)cc1
InChIInChI=1S/C44H31N3/c1-3-11-29(12-4-1)34-22-20-30-18-19-31(25-36(30)38-28-43-40(27-37(34)38)45-44-17-9-10-24-46(43)44)32-21-23-42-39(26-32)35-15-7-8-16-41(35)47(42)33-13-5-2-6-14-33/h1-19,21,23-28,34H,20,22H2
InChIKeyJNIDJJJSDGVTGN-UHFFFAOYSA-N
XLogP11.00
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene with MolForge

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Related Compounds

20-phenyl-16-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),5,7,9,12,14(19),15,17-nonaene
CID 160951061
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
3-[8-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-phenylcarbazole
CID 147929350
methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 159626577
29-[8-phenyl-14-(9-phenylcarbazol-3-yl)-4-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-22,33-dithia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 163923252
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
3-[3,5-bis([1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole
CID 129294336
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202
3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
CID 123172924
5,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]pyrido[3,2-c][2,7]naphthyridin-6-one
CID 146647275
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene?
The IUPAC name of 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene (CID 146300888) is 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene.
What is the SMILES notation for 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene?
The canonical SMILES for 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene is c1ccc(C2CCc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3cc4c(cc32)nc2ccccn24)cc1.
What is the InChIKey of 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene?
The InChIKey is JNIDJJJSDGVTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-3-11-29(12-4-1)34-22-20-30-18-19-31(25-36(30)38-28-43-40(27-37(34)38)45-44-17-9-10-24-46(43)44)32-21-23-42-39(26-32)35-15-7-8-16-41(35)47(42)33-13-5-2-6-14-33/h1-19,21,23-28,34H,20,22H2.
What are the key properties of 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene?
14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene has a molecular weight of 601.75 g/mol, XLogP of 11.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-20-(9-phenylcarbazol-3-yl)-4,10-diazapentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),5,7,9,12,17(22),18,20-nonaene is sourced from PubChem (CID 146300888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).