5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole

C35H30N4 — CID 121322637

IUPAC5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole
SMILESCC1C=Cc2c(c3cc4c(cc3n2-c2ccc(C3=CN(Cc5ccccc5)NC3)cc2)[nH]c2ccccc24)C1
InChIInChI=1S/C35H30N4/c1-23-11-16-34-30(17-23)31-18-29-28-9-5-6-10-32(28)37-33(29)19-35(31)39(34)27-14-12-25(13-15-27)26-20-36-38(22-26)21-24-7-3-2-4-8-24/h2-16,18-19,22-23,36-37H,17,20-21H2,1H3
InChIKeyJZMOMUIIDPLOLV-UHFFFAOYSA-N
MW506.65 g/mol
LogP7.83
Rot. Bonds4

About 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole

5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole (PubChem CID 121322637) has the molecular formula C35H30N4 and a molecular weight of 506.65 g/mol. Its IUPAC name is 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole
PubChem CID121322637
Molecular FormulaC35H30N4
Molecular Weight506.65 g/mol
Exact Mass506.25
IUPAC Name5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole
SMILESCC1C=Cc2c(c3cc4c(cc3n2-c2ccc(C3=CN(Cc5ccccc5)NC3)cc2)[nH]c2ccccc24)C1
InChIInChI=1S/C35H30N4/c1-23-11-16-34-30(17-23)31-18-29-28-9-5-6-10-32(28)37-33(29)19-35(31)39(34)27-14-12-25(13-15-27)26-20-36-38(22-26)21-24-7-3-2-4-8-24/h2-16,18-19,22-23,36-37H,17,20-21H2,1H3
InChIKeyJZMOMUIIDPLOLV-UHFFFAOYSA-N
XLogP7.83
TPSA35.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
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2-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-2-yl]-9H-carbazole
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9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole (CID 121322637) is 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole is CC1C=Cc2c(c3cc4c(cc3n2-c2ccc(C3=CN(Cc5ccccc5)NC3)cc2)[nH]c2ccccc24)C1.
What is the InChIKey of 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole?
The InChIKey is JZMOMUIIDPLOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4/c1-23-11-16-34-30(17-23)31-18-29-28-9-5-6-10-32(28)37-33(29)19-35(31)39(34)27-14-12-25(13-15-27)26-20-36-38(22-26)21-24-7-3-2-4-8-24/h2-16,18-19,22-23,36-37H,17,20-21H2,1H3.
What are the key properties of 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole?
5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole has a molecular weight of 506.65 g/mol, XLogP of 7.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-benzyl-1,5-dihydropyrazol-4-yl)phenyl]-2-methyl-2,7-dihydro-1H-indolo[2,3-b]carbazole is sourced from PubChem (CID 121322637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).