9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole

C54H35N — CID 177074752

IUPAC9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
SMILESc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4)cc3)cccc2c1
InChIInChI=1S/C54H35N/c1-3-13-47-38(9-1)11-7-16-49(47)40-21-19-36(20-22-40)44-29-32-54-52(35-44)51-15-5-6-18-53(51)55(54)46-30-27-37(28-31-46)41-23-24-43-34-45(26-25-42(43)33-41)50-17-8-12-39-10-2-4-14-48(39)50/h1-35H
InChIKeyQZBGUDFXIHMCBP-UHFFFAOYSA-N
MW697.88 g/mol
LogP14.91
Rot. Bonds5

About 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole

9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole (PubChem CID 177074752) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
PubChem CID177074752
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC Name9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
SMILESc1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4)cc3)cccc2c1
InChIInChI=1S/C54H35N/c1-3-13-47-38(9-1)11-7-16-49(47)40-21-19-36(20-22-40)44-29-32-54-52(35-44)51-15-5-6-18-53(51)55(54)46-30-27-37(28-31-46)41-23-24-43-34-45(26-25-42(43)33-41)50-17-8-12-39-10-2-4-14-48(39)50/h1-35H
InChIKeyQZBGUDFXIHMCBP-UHFFFAOYSA-N
XLogP14.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
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)-6-phenylcarbazole
CID 177074708
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
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-(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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole?
The IUPAC name of 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole (CID 177074752) is 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole.
What is the SMILES notation for 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole?
The canonical SMILES for 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole is c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6cc(-c7cccc8ccccc78)ccc6c5)cc4)cc3)cccc2c1.
What is the InChIKey of 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole?
The InChIKey is QZBGUDFXIHMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-3-13-47-38(9-1)11-7-16-49(47)40-21-19-36(20-22-40)44-29-32-54-52(35-44)51-15-5-6-18-53(51)55(54)46-30-27-37(28-31-46)41-23-24-43-34-45(26-25-42(43)33-41)50-17-8-12-39-10-2-4-14-48(39)50/h1-35H.
What are the key properties of 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole?
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole has a molecular weight of 697.88 g/mol, XLogP of 14.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole is sourced from PubChem (CID 177074752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).