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

C47H33N5 — CID 140884565

IUPACN-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
SMILESCc1ccnc(-c2cccc(N(c3ccccc3)c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C47H33N5/c1-32-26-28-48-41(29-32)33-13-12-18-36(30-33)50(34-14-4-2-5-15-34)37-22-23-40-44(31-37)52(45-21-10-11-27-49-45)43-25-24-39-38-19-8-9-20-42(38)51(47(39)46(40)43)35-16-6-3-7-17-35/h2-31H,1H3
InChIKeyVZPFRUDDADTEAU-UHFFFAOYSA-N
MW667.82 g/mol
LogP12.12
Rot. Bonds6

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

N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine (PubChem CID 140884565) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
PubChem CID140884565
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC NameN-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
SMILESCc1ccnc(-c2cccc(N(c3ccccc3)c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C47H33N5/c1-32-26-28-48-41(29-32)33-13-12-18-36(30-33)50(34-14-4-2-5-15-34)37-22-23-40-44(31-37)52(45-21-10-11-27-49-45)43-25-24-39-38-19-8-9-20-42(38)51(47(39)46(40)43)35-16-6-3-7-17-35/h2-31H,1H3
InChIKeyVZPFRUDDADTEAU-UHFFFAOYSA-N
XLogP12.12
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884607
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
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
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
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
CID 140933293
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
The IUPAC name of N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine (CID 140884565) is N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine.
What is the SMILES notation for N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
The canonical SMILES for N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine is Cc1ccnc(-c2cccc(N(c3ccccc3)c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccccn5)c4c3)c2)c1.
What is the InChIKey of N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
The InChIKey is VZPFRUDDADTEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-32-26-28-48-41(29-32)33-13-12-18-36(30-33)50(34-14-4-2-5-15-34)37-22-23-40-44(31-37)52(45-21-10-11-27-49-45)43-25-24-39-38-19-8-9-20-42(38)51(47(39)46(40)43)35-16-6-3-7-17-35/h2-31H,1H3.
What are the key properties of N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine?
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine has a molecular weight of 667.82 g/mol, XLogP of 12.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine is sourced from PubChem (CID 140884565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).