4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile

C35H21N3 — CID 170268509

IUPAC4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c2ccccc12
InChIInChI=1S/C35H21N3/c36-22-23-18-20-32(26-13-5-4-12-25(23)26)38-30-16-8-6-14-27(30)28-19-21-33-34(35(28)38)29-15-7-9-17-31(29)37(33)24-10-2-1-3-11-24/h1-21H
InChIKeyMKQRYTPDPGLULX-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.91
Rot. Bonds2

About 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile

4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile (PubChem CID 170268509) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
PubChem CID170268509
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c2ccccc12
InChIInChI=1S/C35H21N3/c36-22-23-18-20-32(26-13-5-4-12-25(23)26)38-30-16-8-6-14-27(30)28-19-21-33-34(35(28)38)29-15-7-9-17-31(29)37(33)24-10-2-1-3-11-24/h1-21H
InChIKeyMKQRYTPDPGLULX-UHFFFAOYSA-N
XLogP8.91
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
4-isocyano-2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 153461944
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile (CID 170268509) is 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c2ccccc12.
What is the InChIKey of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile?
The InChIKey is MKQRYTPDPGLULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c36-22-23-18-20-32(26-13-5-4-12-25(23)26)38-30-16-8-6-14-27(30)28-19-21-33-34(35(28)38)29-15-7-9-17-31(29)37(33)24-10-2-1-3-11-24/h1-21H.
What are the key properties of 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile?
4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile has a molecular weight of 483.57 g/mol, XLogP of 8.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylindolo[3,2-c]carbazol-12-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 170268509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).