2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile

C47H29N5 — CID 163524007

IUPAC2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)nc1-c1ccccc1
InChIInChI=1S/C47H29N5/c48-30-39-43(31-17-5-1-6-18-31)49-47(50-44(39)32-19-7-2-8-20-32)38-29-37-35-25-13-15-27-40(35)51(33-21-9-3-10-22-33)45(37)42-36-26-14-16-28-41(36)52(46(38)42)34-23-11-4-12-24-34/h1-29H
InChIKeyYMWKRCVTTLSWBD-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.54
Rot. Bonds5

About 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile

2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 163524007) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID163524007
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)nc1-c1ccccc1
InChIInChI=1S/C47H29N5/c48-30-39-43(31-17-5-1-6-18-31)49-47(50-44(39)32-19-7-2-8-20-32)38-29-37-35-25-13-15-27-40(35)51(33-21-9-3-10-22-33)45(37)42-36-26-14-16-28-41(36)52(46(38)42)34-23-11-4-12-24-34/h1-29H
InChIKeyYMWKRCVTTLSWBD-UHFFFAOYSA-N
XLogP11.54
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(11,12-diphenylindolo[2,3-a]carbazol-2-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163602679
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
4,6-diphenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidine-5-carbonitrile
CID 163478634
4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
CID 163455194
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163668762
5-(5-cyano-2,6-diphenylpyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 170253873
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
4-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)-6-naphthalen-2-yl-2-phenylpyrimidine-5-carbonitrile
CID 171745781
4-[3-cyano-4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-2,6-diphenylpyrimidine-5-carbonitrile
CID 163596205
2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163540972
4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile
CID 163662215
6-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[2,3-g]carbazole-4-carbonitrile
CID 161026535

Frequently Asked Questions

What is the IUPAC name of 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile (CID 163524007) is 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3c4ccccc4n(-c4ccccc4)c23)nc1-c1ccccc1.
What is the InChIKey of 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is YMWKRCVTTLSWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c48-30-39-43(31-17-5-1-6-18-31)49-47(50-44(39)32-19-7-2-8-20-32)38-29-37-35-25-13-15-27-40(35)51(33-21-9-3-10-22-33)45(37)42-36-26-14-16-28-41(36)52(46(38)42)34-23-11-4-12-24-34/h1-29H.
What are the key properties of 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile?
2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 663.78 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163524007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).