2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole

C54H32N2 — CID 130295208

IUPAC2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C54H32N2/c1-2-16-40(17-3-1)55-50-23-21-37(28-45(50)47-26-33-11-4-6-13-35(33)30-52(47)55)38-22-24-51-46(29-38)48-27-34-12-5-7-14-36(34)31-53(48)56(51)41-25-39-15-10-20-44-42-18-8-9-19-43(42)49(32-41)54(39)44/h1-32H
InChIKeyKJRPRAAQWZUUIW-UHFFFAOYSA-N
MW708.86 g/mol
LogP14.65
Rot. Bonds3

About 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole

2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole (PubChem CID 130295208) has the molecular formula C54H32N2 and a molecular weight of 708.86 g/mol. Its IUPAC name is 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
PubChem CID130295208
Molecular FormulaC54H32N2
Molecular Weight708.86 g/mol
Exact Mass708.26
IUPAC Name2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C54H32N2/c1-2-16-40(17-3-1)55-50-23-21-37(28-45(50)47-26-33-11-4-6-13-35(33)30-52(47)55)38-22-24-51-46(29-38)48-27-34-12-5-7-14-36(34)31-53(48)56(51)41-25-39-15-10-20-44-42-18-8-9-19-43(42)49(32-41)54(39)44/h1-32H
InChIKeyKJRPRAAQWZUUIW-UHFFFAOYSA-N
XLogP14.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
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
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
2-[7-(4-fluoranthen-2-ylphenyl)benzo[c]carbazol-10-yl]-5-phenylbenzo[b]carbazole
CID 130295051
5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130295046
5-(3-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130294965
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
CID 162231540
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 130295328
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326285
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole?
The IUPAC name of 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole (CID 130295208) is 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole.
What is the SMILES notation for 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole?
The canonical SMILES for 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole?
The InChIKey is KJRPRAAQWZUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2/c1-2-16-40(17-3-1)55-50-23-21-37(28-45(50)47-26-33-11-4-6-13-35(33)30-52(47)55)38-22-24-51-46(29-38)48-27-34-12-5-7-14-36(34)31-53(48)56(51)41-25-39-15-10-20-44-42-18-8-9-19-43(42)49(32-41)54(39)44/h1-32H.
What are the key properties of 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole?
2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole has a molecular weight of 708.86 g/mol, XLogP of 14.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole is sourced from PubChem (CID 130295208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).