9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole

C38H25N3 — CID 121286038

IUPAC9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
SMILESc1cc(-c2ccc(-c3cncnc3)cc2)c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1
InChIInChI=1S/C38H25N3/c1-3-13-36-34(9-1)35-10-2-4-14-37(35)41(36)31-21-19-28(20-22-31)33-12-6-8-29-7-5-11-32(38(29)33)27-17-15-26(16-18-27)30-23-39-25-40-24-30/h1-25H
InChIKeyNNMROFYANRTKGL-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.73
Rot. Bonds4

About 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole

9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole (PubChem CID 121286038) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
PubChem CID121286038
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
SMILESc1cc(-c2ccc(-c3cncnc3)cc2)c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1
InChIInChI=1S/C38H25N3/c1-3-13-36-34(9-1)35-10-2-4-14-37(35)41(36)31-21-19-28(20-22-31)33-12-6-8-29-7-5-11-32(38(29)33)27-17-15-26(16-18-27)30-23-39-25-40-24-30/h1-25H
InChIKeyNNMROFYANRTKGL-UHFFFAOYSA-N
XLogP9.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-carbazol-9-ylphenyl)-4-(8-phenylnaphthalen-1-yl)aniline
CID 169285498
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
9-[4-[4-naphthalen-2-yl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283094

Frequently Asked Questions

What is the IUPAC name of 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole (CID 121286038) is 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole is c1cc(-c2ccc(-c3cncnc3)cc2)c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1.
What is the InChIKey of 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole?
The InChIKey is NNMROFYANRTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-3-13-36-34(9-1)35-10-2-4-14-37(35)41(36)31-21-19-28(20-22-31)33-12-6-8-29-7-5-11-32(38(29)33)27-17-15-26(16-18-27)30-23-39-25-40-24-30/h1-25H.
What are the key properties of 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole?
9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole has a molecular weight of 523.64 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 121286038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).