3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole

C46H28N2 — CID 71291318

IUPAC3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C46H28N2/c1-2-14-34-33(13-1)39-19-10-18-38-32(24-25-40(34)46(38)39)29-11-9-12-30(27-29)47-44-22-8-5-17-37(44)41-28-31(23-26-45(41)47)48-42-20-6-3-15-35(42)36-16-4-7-21-43(36)48/h1-28H
InChIKeyHBZXBKQHZQOVQL-UHFFFAOYSA-N
MW608.74 g/mol
LogP12.35
Rot. Bonds3

About 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole

3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole (PubChem CID 71291318) has the molecular formula C46H28N2 and a molecular weight of 608.74 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
PubChem CID71291318
Molecular FormulaC46H28N2
Molecular Weight608.74 g/mol
Exact Mass608.23
IUPAC Name3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
SMILESc1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C46H28N2/c1-2-14-34-33(13-1)39-19-10-18-38-32(24-25-40(34)46(38)39)29-11-9-12-30(27-29)47-44-22-8-5-17-37(44)41-28-31(23-26-45(41)47)48-42-20-6-3-15-35(42)36-16-4-7-21-43(36)48/h1-28H
InChIKeyHBZXBKQHZQOVQL-UHFFFAOYSA-N
XLogP12.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325724
10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564953
2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol
CID 170205206
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 118581027
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole
CID 158198948
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole (CID 71291318) is 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole?
The InChIKey is HBZXBKQHZQOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2/c1-2-14-34-33(13-1)39-19-10-18-38-32(24-25-40(34)46(38)39)29-11-9-12-30(27-29)47-44-22-8-5-17-37(44)41-28-31(23-26-45(41)47)48-42-20-6-3-15-35(42)36-16-4-7-21-43(36)48/h1-28H.
What are the key properties of 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole?
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole has a molecular weight of 608.74 g/mol, XLogP of 12.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole is sourced from PubChem (CID 71291318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).