11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole

C62H38N2 — CID 130304405

IUPAC11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4cccc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)c4)ccc32)cc1
InChIInChI=1S/C62H38N2/c1-2-17-45(18-3-1)63-58-26-9-8-23-51(58)56-37-42(28-33-59(56)63)43-29-34-60-57(38-43)55-30-27-39-13-4-5-20-48(39)62(55)64(60)46-19-11-15-41(36-46)40-14-10-16-44(35-40)47-31-32-54-50-22-7-6-21-49(50)53-25-12-24-52(47)61(53)54/h1-38H
InChIKeyLDCPBBLSYURAJV-UHFFFAOYSA-N
MW811.00 g/mol
LogP16.84
Rot. Bonds5

About 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole

11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole (PubChem CID 130304405) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
PubChem CID130304405
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC Name11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4cccc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)c4)ccc32)cc1
InChIInChI=1S/C62H38N2/c1-2-17-45(18-3-1)63-58-26-9-8-23-51(58)56-37-42(28-33-59(56)63)43-29-34-60-57(38-43)55-30-27-39-13-4-5-20-48(39)62(55)64(60)46-19-11-15-41(36-46)40-14-10-16-44(35-40)47-31-32-54-50-22-7-6-21-49(50)53-25-12-24-52(47)61(53)54/h1-38H
InChIKeyLDCPBBLSYURAJV-UHFFFAOYSA-N
XLogP16.84
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;9-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 161262150
11-[3-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
11-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 130304461
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
8-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-[2-(4-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-[2-(4-fluoranthen-3-ylphenyl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(3-fluoranthen-3-ylphenyl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 158028690
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole;9-[9-(2-fluoranthen-3-ylphenyl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-(2-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(2-fluoranthen-3-ylphenyl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(2-fluoranthen-3-ylphenyl)-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 157293261
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
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
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The IUPAC name of 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole (CID 130304405) is 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole.
What is the SMILES notation for 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The canonical SMILES for 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4cccc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)c4)ccc32)cc1.
What is the InChIKey of 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The InChIKey is LDCPBBLSYURAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-2-17-45(18-3-1)63-58-26-9-8-23-51(58)56-37-42(28-33-59(56)63)43-29-34-60-57(38-43)55-30-27-39-13-4-5-20-48(39)62(55)64(60)46-19-11-15-41(36-46)40-14-10-16-44(35-40)47-31-32-54-50-22-7-6-21-49(50)53-25-12-24-52(47)61(53)54/h1-38H.
What are the key properties of 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole has a molecular weight of 811.00 g/mol, XLogP of 16.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole is sourced from PubChem (CID 130304405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).