3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene

C38H31N5 — CID 144645855

IUPAC3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene
SMILESCc1ccccc1.Nc1c(Nc2ccccc2)c2ccc3c(c4ccccc4n3-c3ccccn3)c2n1-c1ccccc1
InChIInChI=1S/C31H23N5.C7H8/c32-31-29(34-21-11-3-1-4-12-21)24-18-19-26-28(30(24)35(31)22-13-5-2-6-14-22)23-15-7-8-16-25(23)36(26)27-17-9-10-20-33-27;1-7-5-3-2-4-6-7/h1-20,34H,32H2;2-6H,1H3
InChIKeyXDUXFVFAXNLSOT-UHFFFAOYSA-N
MW557.70 g/mol
LogP9.44
Rot. Bonds4

About 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene

3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene (PubChem CID 144645855) has the molecular formula C38H31N5 and a molecular weight of 557.70 g/mol. Its IUPAC name is 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene.

Molecular Properties

Compound Name3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene
PubChem CID144645855
Molecular FormulaC38H31N5
Molecular Weight557.70 g/mol
Exact Mass557.26
IUPAC Name3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene
SMILESCc1ccccc1.Nc1c(Nc2ccccc2)c2ccc3c(c4ccccc4n3-c3ccccn3)c2n1-c1ccccc1
InChIInChI=1S/C31H23N5.C7H8/c32-31-29(34-21-11-3-1-4-12-21)24-18-19-26-28(30(24)35(31)22-13-5-2-6-14-22)23-15-7-8-16-25(23)36(26)27-17-9-10-20-33-27;1-7-5-3-2-4-6-7/h1-20,34H,32H2;2-6H,1H3
InChIKeyXDUXFVFAXNLSOT-UHFFFAOYSA-N
XLogP9.44
TPSA60.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,1-diphenyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-c]carbazole-2,3-diamine;ethane;toluene
CID 144645798
6-[4-[[[(Z)-3-aminoprop-2-enylidene]amino]methyl]phenyl]-3-N,1-diphenylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene
CID 144645979
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
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-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
2-phenyl-5-(5-pyridin-2-ylindolo[3,2-c]carbazol-12-yl)-1,3-thiazole
CID 118300801
(Z)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine;10-(3-methylphenyl)-1-N,3-diphenylpyrrolo[3,2-a]carbazole-1,2-diamine;toluene
CID 144645907
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
21-phenyl-9-pyridin-2-yl-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635006

Frequently Asked Questions

What is the IUPAC name of 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene?
The IUPAC name of 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene (CID 144645855) is 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene.
What is the SMILES notation for 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene?
The canonical SMILES for 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene is Cc1ccccc1.Nc1c(Nc2ccccc2)c2ccc3c(c4ccccc4n3-c3ccccn3)c2n1-c1ccccc1.
What is the InChIKey of 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene?
The InChIKey is XDUXFVFAXNLSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5.C7H8/c32-31-29(34-21-11-3-1-4-12-21)24-18-19-26-28(30(24)35(31)22-13-5-2-6-14-22)23-15-7-8-16-25(23)36(26)27-17-9-10-20-33-27;1-7-5-3-2-4-6-7/h1-20,34H,32H2;2-6H,1H3.
What are the key properties of 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene?
3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene has a molecular weight of 557.70 g/mol, XLogP of 9.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene is sourced from PubChem (CID 144645855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).