5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole

C50H30N2 — CID 130295328

IUPAC5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6ccccc6cc54)ccc32)c1
InChIInChI=1S/C50H30N2/c1-2-12-33-29-49-43(27-32(33)11-1)40-18-5-8-22-47(40)52(49)37-23-24-48-44(30-37)41-19-6-7-21-46(41)51(48)36-15-9-13-31(26-36)35-25-34-14-10-20-42-38-16-3-4-17-39(38)45(28-35)50(34)42/h1-30H
InChIKeyFEVOQBKIKVFESZ-UHFFFAOYSA-N
MW658.80 g/mol
LogP13.50
Rot. Bonds3

About 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole

5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole (PubChem CID 130295328) has the molecular formula C50H30N2 and a molecular weight of 658.80 g/mol. Its IUPAC name is 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
PubChem CID130295328
Molecular FormulaC50H30N2
Molecular Weight658.80 g/mol
Exact Mass658.24
IUPAC Name5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6ccccc6cc54)ccc32)c1
InChIInChI=1S/C50H30N2/c1-2-12-33-29-49-43(27-32(33)11-1)40-18-5-8-22-47(40)52(49)37-23-24-48-44(30-37)41-19-6-7-21-46(41)51(48)36-15-9-13-31(26-36)35-25-34-14-10-20-42-38-16-3-4-17-39(38)45(28-35)50(34)42/h1-30H
InChIKeyFEVOQBKIKVFESZ-UHFFFAOYSA-N
XLogP13.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
5-(3-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130294965
3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;10-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7-(6-fluoranthen-2-ylnaphthalen-2-yl)-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 158425767
6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130295347
5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130295046
2-[7-(4-fluoranthen-2-ylphenyl)benzo[c]carbazol-10-yl]-5-phenylbenzo[b]carbazole
CID 130295051
21-(3-fluoranthen-2-ylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 130294987
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-[9-(4-fluoranthen-2-ylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158868113
2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
CID 130295208
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318

Frequently Asked Questions

What is the IUPAC name of 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole (CID 130295328) is 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole is c1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6ccccc6cc54)ccc32)c1.
What is the InChIKey of 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole?
The InChIKey is FEVOQBKIKVFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2/c1-2-12-33-29-49-43(27-32(33)11-1)40-18-5-8-22-47(40)52(49)37-23-24-48-44(30-37)41-19-6-7-21-46(41)51(48)36-15-9-13-31(26-36)35-25-34-14-10-20-42-38-16-3-4-17-39(38)45(28-35)50(34)42/h1-30H.
What are the key properties of 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole?
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole has a molecular weight of 658.80 g/mol, XLogP of 13.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole is sourced from PubChem (CID 130295328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).