3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole

C45H44N4 — CID 67988538

IUPAC3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole
SMILESCC(C)Cc1cc2c(cn1)c1ccccc1n2-c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4cnc(CC(C)C)cc43)cc2)cc1
InChIInChI=1S/C45H44N4/c1-29(2)23-33-25-43-39(27-46-33)37-11-7-9-13-41(37)48(43)35-19-15-31(16-20-35)45(5,6)32-17-21-36(22-18-32)49-42-14-10-8-12-38(42)40-28-47-34(24-30(3)4)26-44(40)49/h7-22,25-30H,23-24H2,1-6H3
InChIKeyYUVPXXKBRWHIOU-UHFFFAOYSA-N
MW640.88 g/mol
LogP11.39
Rot. Bonds8

About 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole

3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 67988538) has the molecular formula C45H44N4 and a molecular weight of 640.88 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole
PubChem CID67988538
Molecular FormulaC45H44N4
Molecular Weight640.88 g/mol
Exact Mass640.36
IUPAC Name3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole
SMILESCC(C)Cc1cc2c(cn1)c1ccccc1n2-c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4cnc(CC(C)C)cc43)cc2)cc1
InChIInChI=1S/C45H44N4/c1-29(2)23-33-25-43-39(27-46-33)37-11-7-9-13-41(37)48(43)35-19-15-31(16-20-35)45(5,6)32-17-21-36(22-18-32)49-42-14-10-8-12-38(42)40-28-47-34(24-30(3)4)26-44(40)49/h7-22,25-30H,23-24H2,1-6H3
InChIKeyYUVPXXKBRWHIOU-UHFFFAOYSA-N
XLogP11.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.88
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
CID 71232688
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
CID 168810563
3,6-ditert-butyl-9-[9-[5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]carbazol-3-yl]carbazole
CID 163857203
9-[4-[(1R)-1-[4-[(2S)-2-carbazol-9-yl-3-methylbutan-2-yl]phenyl]-2-methylpropyl]phenyl]carbazole
CID 144659762
[9-(4-fluorophenyl)pyrido[3,4-b]indol-3-yl]methanol
CID 46907566

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole (CID 67988538) is 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole is CC(C)Cc1cc2c(cn1)c1ccccc1n2-c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4cnc(CC(C)C)cc43)cc2)cc1.
What is the InChIKey of 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is YUVPXXKBRWHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N4/c1-29(2)23-33-25-43-39(27-46-33)37-11-7-9-13-41(37)48(43)35-19-15-31(16-20-35)45(5,6)32-17-21-36(22-18-32)49-42-14-10-8-12-38(42)40-28-47-34(24-30(3)4)26-44(40)49/h7-22,25-30H,23-24H2,1-6H3.
What are the key properties of 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole?
3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 640.88 g/mol, XLogP of 11.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[4-[2-[4-[3-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]propan-2-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 67988538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).