4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile

C47H29N5 — CID 163455194

IUPAC4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C47H29N5/c48-30-39-44(31-15-5-1-6-16-31)49-47(32-17-7-2-8-18-32)50-45(39)33-25-27-41-38(29-33)36-26-28-42-43(46(36)52(41)35-21-11-4-12-22-35)37-23-13-14-24-40(37)51(42)34-19-9-3-10-20-34/h1-29H
InChIKeyFZQOOMZAFAUUDJ-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.54
Rot. Bonds5

About 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile

4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 163455194) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
PubChem CID163455194
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C47H29N5/c48-30-39-44(31-15-5-1-6-16-31)49-47(32-17-7-2-8-18-32)50-45(39)33-25-27-41-38(29-33)36-26-28-42-43(46(36)52(41)35-21-11-4-12-22-35)37-23-13-14-24-40(37)51(42)34-19-9-3-10-20-34/h1-29H
InChIKeyFZQOOMZAFAUUDJ-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

5-(5-cyano-2,6-diphenylpyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 170253873
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
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
2-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582345
4,6-diphenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidine-5-carbonitrile
CID 163478634
2-(11,12-diphenylindolo[2,3-a]carbazol-2-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163602679
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
4-[3-cyano-4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-2,6-diphenylpyrimidine-5-carbonitrile
CID 163596205
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
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163524007
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601

Frequently Asked Questions

What is the IUPAC name of 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile (CID 163455194) is 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is FZQOOMZAFAUUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c48-30-39-44(31-15-5-1-6-16-31)49-47(32-17-7-2-8-18-32)50-45(39)33-25-27-41-38(29-33)36-26-28-42-43(46(36)52(41)35-21-11-4-12-22-35)37-23-13-14-24-40(37)51(42)34-19-9-3-10-20-34/h1-29H.
What are the key properties of 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile?
4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-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 4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163455194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).