3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole

C46H36N2 — CID 149445762

IUPAC3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4CC6CC7CC5CC76C4)ccc32)cc1
InChIInChI=1S/C46H36N2/c1-2-8-34(9-3-1)47-42-12-6-4-10-37(42)40-22-28(14-18-44(40)47)29-15-19-45-41(23-29)38-11-5-7-13-43(38)48(45)35-16-17-36-30-20-32-24-33-21-31(39(36)25-35)27-46(32,33)26-30/h1-19,22-23,25,30-33H,20-21,24,26-27H2
InChIKeyYWQRTRAQWAVZQC-UHFFFAOYSA-N
MW616.81 g/mol
LogP11.94
Rot. Bonds3

About 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 149445762) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID149445762
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4CC6CC7CC5CC76C4)ccc32)cc1
InChIInChI=1S/C46H36N2/c1-2-8-34(9-3-1)47-42-12-6-4-10-37(42)40-22-28(14-18-44(40)47)29-15-19-45-41(23-29)38-11-5-7-13-43(38)48(45)35-16-17-36-30-20-32-24-33-21-31(39(36)25-35)27-46(32,33)26-30/h1-19,22-23,25,30-33H,20-21,24,26-27H2
InChIKeyYWQRTRAQWAVZQC-UHFFFAOYSA-N
XLogP11.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628

Frequently Asked Questions

What is the IUPAC name of 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole (CID 149445762) is 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4CC6CC7CC5CC76C4)ccc32)cc1.
What is the InChIKey of 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is YWQRTRAQWAVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-2-8-34(9-3-1)47-42-12-6-4-10-37(42)40-22-28(14-18-44(40)47)29-15-19-45-41(23-29)38-11-5-7-13-43(38)48(45)35-16-17-36-30-20-32-24-33-21-31(39(36)25-35)27-46(32,33)26-30/h1-19,22-23,25,30-33H,20-21,24,26-27H2.
What are the key properties of 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 616.81 g/mol, XLogP of 11.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(6-pentacyclo[8.4.1.13,14.01,12.04,9]hexadeca-4(9),5,7-trienyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 149445762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).