3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole

C34H22N2 — CID 175403206

IUPAC3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
SMILESc1ccc2c(-c3cc(-c4ccc5[nH]c6ccccc6c5c4)cc4c3[nH]c3ccccc34)cccc2c1
InChIInChI=1S/C34H22N2/c1-2-10-24-21(8-1)9-7-13-25(24)29-19-23(20-30-27-12-4-6-15-32(27)36-34(29)30)22-16-17-33-28(18-22)26-11-3-5-14-31(26)35-33/h1-20,35-36H
InChIKeyGSXNONRSANKZJE-UHFFFAOYSA-N
MW458.56 g/mol
LogP9.44
Rot. Bonds2

About 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole

3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole (PubChem CID 175403206) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
PubChem CID175403206
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
SMILESc1ccc2c(-c3cc(-c4ccc5[nH]c6ccccc6c5c4)cc4c3[nH]c3ccccc34)cccc2c1
InChIInChI=1S/C34H22N2/c1-2-10-24-21(8-1)9-7-13-25(24)29-19-23(20-30-27-12-4-6-15-32(27)36-34(29)30)22-16-17-33-28(18-22)26-11-3-5-14-31(26)35-33/h1-20,35-36H
InChIKeyGSXNONRSANKZJE-UHFFFAOYSA-N
XLogP9.44
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
1,3,6-triphenyl-9H-carbazole
CID 118052457
3-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]-9H-carbazole
CID 146669504
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole
CID 148893383
3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaenyl)-9H-carbazole
CID 90180403
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531
3,6-bis(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)-9H-carbazole
CID 87157791

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole (CID 175403206) is 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole is c1ccc2c(-c3cc(-c4ccc5[nH]c6ccccc6c5c4)cc4c3[nH]c3ccccc34)cccc2c1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole?
The InChIKey is GSXNONRSANKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-10-24-21(8-1)9-7-13-25(24)29-19-23(20-30-27-12-4-6-15-32(27)36-34(29)30)22-16-17-33-28(18-22)26-11-3-5-14-31(26)35-33/h1-20,35-36H.
What are the key properties of 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole?
3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole has a molecular weight of 458.56 g/mol, XLogP of 9.44, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole is sourced from PubChem (CID 175403206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).