N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine

C52H35N5 — CID 140884607

IUPACN,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
SMILESc1ccc(-c2ccnc(-c3cccc(N(c4ccccc4)c4ccc5c6c(ccc7c8ccccc8n(-c8ccccc8)c76)n(-c6ccccn6)c5c4)c3)c2)cc1
InChIInChI=1S/C52H35N5/c1-4-15-36(16-5-1)37-30-32-53-46(34-37)38-17-14-22-41(33-38)55(39-18-6-2-7-19-39)42-26-27-45-49(35-42)57(50-25-12-13-31-54-50)48-29-28-44-43-23-10-11-24-47(43)56(52(44)51(45)48)40-20-8-3-9-21-40/h1-35H
InChIKeyCCGALNOWMFOJLY-UHFFFAOYSA-N
MW729.89 g/mol
LogP13.47
Rot. Bonds7

About N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine

N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine (PubChem CID 140884607) has the molecular formula C52H35N5 and a molecular weight of 729.89 g/mol. Its IUPAC name is N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
PubChem CID140884607
Molecular FormulaC52H35N5
Molecular Weight729.89 g/mol
Exact Mass729.29
IUPAC NameN,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
SMILESc1ccc(-c2ccnc(-c3cccc(N(c4ccccc4)c4ccc5c6c(ccc7c8ccccc8n(-c8ccccc8)c76)n(-c6ccccn6)c5c4)c3)c2)cc1
InChIInChI=1S/C52H35N5/c1-4-15-36(16-5-1)37-30-32-53-46(34-37)38-17-14-22-41(33-38)55(39-18-6-2-7-19-39)42-26-27-45-49(35-42)57(50-25-12-13-31-54-50)48-29-28-44-43-23-10-11-24-47(43)56(52(44)51(45)48)40-20-8-3-9-21-40/h1-35H
InChIKeyCCGALNOWMFOJLY-UHFFFAOYSA-N
XLogP13.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.89
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
CID 140933293
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-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-6-amine
CID 140884549
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
CID 118301337
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-phenyl-N-(3-phenylphenyl)-7-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273386
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
CID 142474030
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
CID 121286448

Frequently Asked Questions

What is the IUPAC name of N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
The IUPAC name of N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine (CID 140884607) is N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine.
What is the SMILES notation for N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
The canonical SMILES for N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine is c1ccc(-c2ccnc(-c3cccc(N(c4ccccc4)c4ccc5c6c(ccc7c8ccccc8n(-c8ccccc8)c76)n(-c6ccccn6)c5c4)c3)c2)cc1.
What is the InChIKey of N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
The InChIKey is CCGALNOWMFOJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5/c1-4-15-36(16-5-1)37-30-32-53-46(34-37)38-17-14-22-41(33-38)55(39-18-6-2-7-19-39)42-26-27-45-49(35-42)57(50-25-12-13-31-54-50)48-29-28-44-43-23-10-11-24-47(43)56(52(44)51(45)48)40-20-8-3-9-21-40/h1-35H.
What are the key properties of N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine has a molecular weight of 729.89 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine is sourced from PubChem (CID 140884607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).