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

C42H26N4 — CID 146542904

IUPAC3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C42H26N4/c43-26-31-22-23-44-27-37(31)30-12-8-10-28(24-30)29-11-9-15-33(25-29)45-39-19-7-5-17-36(39)41-40(45)21-20-35-34-16-4-6-18-38(34)46(42(35)41)32-13-2-1-3-14-32/h1-25,27H
InChIKeyPIONHHYMBYJRGI-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.48
Rot. Bonds4

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

3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile (PubChem CID 146542904) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
PubChem CID146542904
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C42H26N4/c43-26-31-22-23-44-27-37(31)30-12-8-10-28(24-30)29-11-9-15-33(25-29)45-39-19-7-5-17-36(39)41-40(45)21-20-35-34-16-4-6-18-38(34)46(42(35)41)32-13-2-1-3-14-32/h1-25,27H
InChIKeyPIONHHYMBYJRGI-UHFFFAOYSA-N
XLogP10.48
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543110
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543067
3-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543439
9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574439
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543071
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile (CID 146542904) is 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile is N#Cc1ccncc1-c1cccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1.
What is the InChIKey of 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile?
The InChIKey is PIONHHYMBYJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c43-26-31-22-23-44-27-37(31)30-12-8-10-28(24-30)29-11-9-15-33(25-29)45-39-19-7-5-17-36(39)41-40(45)21-20-35-34-16-4-6-18-38(34)46(42(35)41)32-13-2-1-3-14-32/h1-25,27H.
What are the key properties of 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile?
3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile has a molecular weight of 586.70 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 146542904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).