3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole

C54H36N2 — CID 71291322

IUPAC3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)-c2cccc4c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc-3c24)c1
InChIInChI=1S/C54H36N2/c1-33-27-34(2)29-38(28-33)37-19-22-40-44-23-26-51(45-16-10-15-43(54(44)45)46(40)30-37)56-50-18-9-7-14-42(50)48-32-36(21-25-53(48)56)35-20-24-52-47(31-35)41-13-6-8-17-49(41)55(52)39-11-4-3-5-12-39/h3-32H,1-2H3
InChIKeyNXPPCFASNIMGPT-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.63
Rot. Bonds4

About 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 71291322) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID71291322
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)-c2cccc4c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc-3c24)c1
InChIInChI=1S/C54H36N2/c1-33-27-34(2)29-38(28-33)37-19-22-40-44-23-26-51(45-16-10-15-43(54(44)45)46(40)30-37)56-50-18-9-7-14-42(50)48-32-36(21-25-53(48)56)35-20-24-52-47(31-35)41-13-6-8-17-49(41)55(52)39-11-4-3-5-12-39/h3-32H,1-2H3
InChIKeyNXPPCFASNIMGPT-UHFFFAOYSA-N
XLogP14.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159993956
9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301140
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
2-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-[9-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole
CID 161056852
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;3-(9-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161134789
3-(9,9-dimethylfluoren-3-yl)-9-[8-(9,9-dimethylfluoren-2-yl)fluoranthen-3-yl]carbazole
CID 71291314

Frequently Asked Questions

What is the IUPAC name of 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole (CID 71291322) is 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole is Cc1cc(C)cc(-c2ccc3c(c2)-c2cccc4c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc-3c24)c1.
What is the InChIKey of 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is NXPPCFASNIMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-33-27-34(2)29-38(28-33)37-19-22-40-44-23-26-51(45-16-10-15-43(54(44)45)46(40)30-37)56-50-18-9-7-14-42(50)48-32-36(21-25-53(48)56)35-20-24-52-47(31-35)41-13-6-8-17-49(41)55(52)39-11-4-3-5-12-39/h3-32H,1-2H3.
What are the key properties of 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 712.90 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 71291322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).