9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole

C52H32N2 — CID 122434651

IUPAC9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc4-5)ccc32)cc1
InChIInChI=1S/C52H32N2/c1-3-13-35(14-4-1)53-47-22-9-7-17-40(47)46-32-33(26-30-49(46)53)37-28-29-43-39-27-25-34(31-45(39)42-21-11-20-41(37)51(42)43)38-19-12-24-50-52(38)44-18-8-10-23-48(44)54(50)36-15-5-2-6-16-36/h1-32H
InChIKeyHCOMLPFRLVSASC-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.02
Rot. Bonds4

About 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole

9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole (PubChem CID 122434651) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
PubChem CID122434651
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc4-5)ccc32)cc1
InChIInChI=1S/C52H32N2/c1-3-13-35(14-4-1)53-47-22-9-7-17-40(47)46-32-33(26-30-49(46)53)37-28-29-43-39-27-25-34(31-45(39)42-21-11-20-41(37)51(42)43)38-19-12-24-50-52(38)44-18-8-10-23-48(44)54(50)36-15-5-2-6-16-36/h1-32H
InChIKeyHCOMLPFRLVSASC-UHFFFAOYSA-N
XLogP14.02
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
CID 130326339
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole (CID 122434651) is 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc4-5)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole?
The InChIKey is HCOMLPFRLVSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-13-35(14-4-1)53-47-22-9-7-17-40(47)46-32-33(26-30-49(46)53)37-28-29-43-39-27-25-34(31-45(39)42-21-11-20-41(37)51(42)43)38-19-12-24-50-52(38)44-18-8-10-23-48(44)54(50)36-15-5-2-6-16-36/h1-32H.
What are the key properties of 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole?
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole has a molecular weight of 684.84 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole is sourced from PubChem (CID 122434651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).