2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole

C52H31N3 — CID 121475489

IUPAC2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)cc54)ccc-2c13
InChIInChI=1S/C52H31N3/c1-2-15-33-32(14-1)39-21-13-22-41-48(29-28-40(33)52(39)41)53-47-27-12-7-20-38(47)42-30-50(54-43-23-8-3-16-34(43)35-17-4-9-24-44(35)54)51(31-49(42)53)55-45-25-10-5-18-36(45)37-19-6-11-26-46(37)55/h1-31H
InChIKeyNXJYXGBUIZVPQJ-UHFFFAOYSA-N
MW697.84 g/mol
LogP13.78
Rot. Bonds3

About 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole

2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole (PubChem CID 121475489) has the molecular formula C52H31N3 and a molecular weight of 697.84 g/mol. Its IUPAC name is 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole.

Molecular Properties

Compound Name2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
PubChem CID121475489
Molecular FormulaC52H31N3
Molecular Weight697.84 g/mol
Exact Mass697.25
IUPAC Name2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)cc54)ccc-2c13
InChIInChI=1S/C52H31N3/c1-2-15-33-32(14-1)39-21-13-22-41-48(29-28-40(33)52(39)41)53-47-27-12-7-20-38(47)42-30-50(54-43-23-8-3-16-34(43)35-17-4-9-24-44(35)54)51(31-49(42)53)55-45-25-10-5-18-36(45)37-19-6-11-26-46(37)55/h1-31H
InChIKeyNXJYXGBUIZVPQJ-UHFFFAOYSA-N
XLogP13.78
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(4-fluoranthen-3-ylnaphthalen-1-yl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580861
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70659172
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
6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736477
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
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-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 71291322
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954
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 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole?
The IUPAC name of 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole (CID 121475489) is 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole.
What is the SMILES notation for 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole?
The canonical SMILES for 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole is c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)cc54)ccc-2c13.
What is the InChIKey of 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole?
The InChIKey is NXJYXGBUIZVPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3/c1-2-15-33-32(14-1)39-21-13-22-41-48(29-28-40(33)52(39)41)53-47-27-12-7-20-38(47)42-30-50(54-43-23-8-3-16-34(43)35-17-4-9-24-44(35)54)51(31-49(42)53)55-45-25-10-5-18-36(45)37-19-6-11-26-46(37)55/h1-31H.
What are the key properties of 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole?
2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole has a molecular weight of 697.84 g/mol, XLogP of 13.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole is sourced from PubChem (CID 121475489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).