1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole

C44H29N3 — CID 126503544

IUPAC1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C44H29N3/c1-4-12-30(13-5-1)34-26-38(32-16-8-3-9-17-32)44-39(27-34)36-18-10-11-19-43(36)47(44)35-22-20-33(21-23-35)42-28-37(31-14-6-2-7-15-31)40-29-45-25-24-41(40)46-42/h1-29H
InChIKeyDKIBQHLOQRKYBX-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole

1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole (PubChem CID 126503544) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole
PubChem CID126503544
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)c4cnccc4n3)cc2)cc1
InChIInChI=1S/C44H29N3/c1-4-12-30(13-5-1)34-26-38(32-16-8-3-9-17-32)44-39(27-34)36-18-10-11-19-43(36)47(44)35-22-20-33(21-23-35)42-28-37(31-14-6-2-7-15-31)40-29-45-25-24-41(40)46-42/h1-29H
InChIKeyDKIBQHLOQRKYBX-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
1-phenyl-9-[4-(4-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 172765274
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole?
The IUPAC name of 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole (CID 126503544) is 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole.
What is the SMILES notation for 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole?
The canonical SMILES for 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)c4cnccc4n3)cc2)cc1.
What is the InChIKey of 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole?
The InChIKey is DKIBQHLOQRKYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-4-12-30(13-5-1)34-26-38(32-16-8-3-9-17-32)44-39(27-34)36-18-10-11-19-43(36)47(44)35-22-20-33(21-23-35)42-28-37(31-14-6-2-7-15-31)40-29-45-25-24-41(40)46-42/h1-29H.
What are the key properties of 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole?
1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole is sourced from PubChem (CID 126503544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).