3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole

C48H31N — CID 129041123

IUPAC3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole
SMILESC(#Cc1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H31N/c1-2-11-42(12-3-1)49-47-16-7-6-14-45(47)46-33-41(31-32-48(46)49)38-29-27-37(28-30-38)36-23-19-34(20-24-36)17-18-35-21-25-40(26-22-35)44-15-8-10-39-9-4-5-13-43(39)44/h1-16,19-33H
InChIKeyNGQFGYBONDYWRN-UHFFFAOYSA-N
MW621.78 g/mol
LogP12.34
Rot. Bonds4

About 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole

3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 129041123) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID129041123
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole
SMILESC(#Cc1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H31N/c1-2-11-42(12-3-1)49-47-16-7-6-14-45(47)46-33-41(31-32-48(46)49)38-29-27-37(28-30-38)36-23-19-34(20-24-36)17-18-35-21-25-40(26-22-35)44-15-8-10-39-9-4-5-13-43(39)44/h1-16,19-33H
InChIKeyNGQFGYBONDYWRN-UHFFFAOYSA-N
XLogP12.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole (CID 129041123) is 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole is C(#Cc1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is NGQFGYBONDYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-2-11-42(12-3-1)49-47-16-7-6-14-45(47)46-33-41(31-32-48(46)49)38-29-27-37(28-30-38)36-23-19-34(20-24-36)17-18-35-21-25-40(26-22-35)44-15-8-10-39-9-4-5-13-43(39)44/h1-16,19-33H.
What are the key properties of 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole?
3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 621.78 g/mol, XLogP of 12.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-(4-naphthalen-1-ylphenyl)ethynyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 129041123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).