6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile

C32H22N2 — CID 155470987

IUPAC6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile
SMILESN#Cc1ccc2ccc(-c3ccc(N4c5ccccc5C5=CC=CCC54)cc3)c3c2c1C=CC3
InChIInChI=1S/C32H22N2/c33-20-23-13-12-22-16-19-25(29-9-5-8-26(23)32(22)29)21-14-17-24(18-15-21)34-30-10-3-1-6-27(30)28-7-2-4-11-31(28)34/h1-8,10,12-19,31H,9,11H2
InChIKeyOQOCVIFFLGIFGY-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.81
Rot. Bonds2

About 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile

6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile (PubChem CID 155470987) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile.

Molecular Properties

Compound Name6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile
PubChem CID155470987
Molecular FormulaC32H22N2
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile
SMILESN#Cc1ccc2ccc(-c3ccc(N4c5ccccc5C5=CC=CCC54)cc3)c3c2c1C=CC3
InChIInChI=1S/C32H22N2/c33-20-23-13-12-22-16-19-25(29-9-5-8-26(23)32(22)29)21-14-17-24(18-15-21)34-30-10-3-1-6-27(30)28-7-2-4-11-31(28)34/h1-8,10,12-19,31H,9,11H2
InChIKeyOQOCVIFFLGIFGY-UHFFFAOYSA-N
XLogP7.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1,9a-dihydrocarbazole
CID 143136477
9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
CID 166917692
9-[4-[6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 90337088
5,9-diphenyl-4,4a-dihydrobenzo[b]carbazole
CID 91156957
(E)-3-[5-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-3,4-dimethylthiophen-2-yl]-2-(iodomethyl)prop-2-enenitrile
CID 89196905
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
7-[2-(4-methylphenyl)phenyl]-9-naphtho[2,1-b][1]benzothiol-10-yl-1,9a-dihydrocarbazole
CID 144907494
2-[5-(1,9a-dihydrocarbazol-9-yl)-2-phenylcarbazol-9-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 146518397
bis(1-methylnaphthalene);7-[2-(4-methylphenyl)phenyl]-9-naphtho[2,1-b][1]benzothiol-10-yl-1,9a-dihydrocarbazole
CID 144907493
22-phenyl-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18-decaene
CID 126621474
3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
CID 144661384
3-[(8aR)-9-phenyl-8,8a-dihydrocarbazol-3-yl]-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 163822230

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile?
The IUPAC name of 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile (CID 155470987) is 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile.
What is the SMILES notation for 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile?
The canonical SMILES for 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile is N#Cc1ccc2ccc(-c3ccc(N4c5ccccc5C5=CC=CCC54)cc3)c3c2c1C=CC3.
What is the InChIKey of 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile?
The InChIKey is OQOCVIFFLGIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2/c33-20-23-13-12-22-16-19-25(29-9-5-8-26(23)32(22)29)21-14-17-24(18-15-21)34-30-10-3-1-6-27(30)28-7-2-4-11-31(28)34/h1-8,10,12-19,31H,9,11H2.
What are the key properties of 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile?
6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile has a molecular weight of 434.54 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,9a-dihydrocarbazol-9-yl)phenyl]-7H-phenalene-1-carbonitrile is sourced from PubChem (CID 155470987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).