5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole

C53H39N — CID 155034963

IUPAC5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C(CCc3ccc4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc4c3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C53H39N/c1-3-12-38(13-4-1)41-25-27-42(28-26-41)49(46-19-11-18-43(33-46)39-14-5-2-6-15-39)31-23-37-22-24-45-35-51-50-20-9-10-21-52(50)54(53(51)36-47(45)32-37)48-30-29-40-16-7-8-17-44(40)34-48/h1-22,24-30,32-36,49H,23,31H2
InChIKeyPKTZFDHTTHNGOG-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.19
Rot. Bonds8

About 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole

5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole (PubChem CID 155034963) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole
PubChem CID155034963
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(C(CCc3ccc4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc4c3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C53H39N/c1-3-12-38(13-4-1)41-25-27-42(28-26-41)49(46-19-11-18-43(33-46)39-14-5-2-6-15-39)31-23-37-22-24-45-35-51-50-20-9-10-21-52(50)54(53(51)36-47(45)32-37)48-30-29-40-16-7-8-17-44(40)34-48/h1-22,24-30,32-36,49H,23,31H2
InChIKeyPKTZFDHTTHNGOG-UHFFFAOYSA-N
XLogP14.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole
CID 156568545
9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
CID 166895590
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 157218905
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054
2-[4-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 118265635
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole?
The IUPAC name of 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole (CID 155034963) is 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole.
What is the SMILES notation for 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole?
The canonical SMILES for 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole is c1ccc(-c2ccc(C(CCc3ccc4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc4c3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole?
The InChIKey is PKTZFDHTTHNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-3-12-38(13-4-1)41-25-27-42(28-26-41)49(46-19-11-18-43(33-46)39-14-5-2-6-15-39)31-23-37-22-24-45-35-51-50-20-9-10-21-52(50)54(53(51)36-47(45)32-37)48-30-29-40-16-7-8-17-44(40)34-48/h1-22,24-30,32-36,49H,23,31H2.
What are the key properties of 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole?
5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole has a molecular weight of 689.90 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole is sourced from PubChem (CID 155034963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).