2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine

C43H29N4P — CID 140690979

IUPAC2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine
SMILESCn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(cc54)C(n4ccc5ccccc54)c4ccccc4-6)nc32)cc2ccccc21
InChIInChI=1S/C43H29N4P/c1-45-36-15-7-3-11-29(36)24-41(45)48-23-21-28-18-19-40(44-43(28)48)47-38-17-9-6-13-31(38)34-25-33-30-12-4-5-14-32(30)42(35(33)26-39(34)47)46-22-20-27-10-2-8-16-37(27)46/h2-26,42H,1H3
InChIKeyHXMWMXPPCYNEME-UHFFFAOYSA-N
MW632.71 g/mol
LogP11.37
Rot. Bonds3

About 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine

2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine (PubChem CID 140690979) has the molecular formula C43H29N4P and a molecular weight of 632.71 g/mol. Its IUPAC name is 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine
PubChem CID140690979
Molecular FormulaC43H29N4P
Molecular Weight632.71 g/mol
Exact Mass632.21
IUPAC Name2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine
SMILESCn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(cc54)C(n4ccc5ccccc54)c4ccccc4-6)nc32)cc2ccccc21
InChIInChI=1S/C43H29N4P/c1-45-36-15-7-3-11-29(36)24-41(45)48-23-21-28-18-19-40(44-43(28)48)47-38-17-9-6-13-31(38)34-25-33-30-12-4-5-14-32(30)42(35(33)26-39(34)47)46-22-20-27-10-2-8-16-37(27)46/h2-26,42H,1H3
InChIKeyHXMWMXPPCYNEME-UHFFFAOYSA-N
XLogP11.37
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.71
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

18-phenyl-10-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222786
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenyl-7H-indeno[2,1-b]carbazole
CID 126753657
9-(6-carbazol-9-yl-3-methyl-2-pyridinyl)carbazole
CID 170396111
9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 176647122
10-phenyl-18-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223358
N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine
CID 157074265
5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole
CID 161420841
3-phenyl-9-[2-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091165
3-phenyl-9-[6-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091160
9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369
5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
CID 18424916

Frequently Asked Questions

What is the IUPAC name of 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine?
The IUPAC name of 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine (CID 140690979) is 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine.
What is the SMILES notation for 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine?
The canonical SMILES for 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine is Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(cc54)C(n4ccc5ccccc54)c4ccccc4-6)nc32)cc2ccccc21.
What is the InChIKey of 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine?
The InChIKey is HXMWMXPPCYNEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N4P/c1-45-36-15-7-3-11-29(36)24-41(45)48-23-21-28-18-19-40(44-43(28)48)47-38-17-9-6-13-31(38)34-25-33-30-12-4-5-14-32(30)42(35(33)26-39(34)47)46-22-20-27-10-2-8-16-37(27)46/h2-26,42H,1H3.
What are the key properties of 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine?
2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine has a molecular weight of 632.71 g/mol, XLogP of 11.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-indol-1-yl-7H-indeno[2,1-b]carbazol-5-yl)-7-(1-methylindol-2-yl)phospholo[2,3-b]pyridine is sourced from PubChem (CID 140690979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).