9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

C50H46N4 — CID 58663611

IUPAC9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC1c2c(c3ccccc3n2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-n3c4c(c5ccccc53)CCN(C)C4C)c2)CCN1C
InChIInChI=1S/C50H46N4/c1-33-49-45(23-25-51(33)3)43-19-11-13-21-47(43)53(49)41-30-40(39-28-37(35-15-7-5-8-16-35)27-38(29-39)36-17-9-6-10-18-36)31-42(32-41)54-48-22-14-12-20-44(48)46-24-26-52(4)34(2)50(46)54/h5-22,27-34H,23-26H2,1-4H3
InChIKeyAHVHADPEVXEXLW-UHFFFAOYSA-N
MW702.95 g/mol
LogP11.67
Rot. Bonds5

About 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 58663611) has the molecular formula C50H46N4 and a molecular weight of 702.95 g/mol. Its IUPAC name is 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID58663611
Molecular FormulaC50H46N4
Molecular Weight702.95 g/mol
Exact Mass702.37
IUPAC Name9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC1c2c(c3ccccc3n2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-n3c4c(c5ccccc53)CCN(C)C4C)c2)CCN1C
InChIInChI=1S/C50H46N4/c1-33-49-45(23-25-51(33)3)43-19-11-13-21-47(43)53(49)41-30-40(39-28-37(35-15-7-5-8-16-35)27-38(29-39)36-17-9-6-10-18-36)31-42(32-41)54-48-22-14-12-20-44(48)46-24-26-52(4)34(2)50(46)54/h5-22,27-34H,23-26H2,1-4H3
InChIKeyAHVHADPEVXEXLW-UHFFFAOYSA-N
XLogP11.67
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.95
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole with MolForge

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Related Compounds

9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663490
9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663548
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[6-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)-4-[4-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]-2-pyridinyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663524
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 58663611) is 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is CC1c2c(c3ccccc3n2-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-n3c4c(c5ccccc53)CCN(C)C4C)c2)CCN1C.
What is the InChIKey of 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is AHVHADPEVXEXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4/c1-33-49-45(23-25-51(33)3)43-19-11-13-21-47(43)53(49)41-30-40(39-28-37(35-15-7-5-8-16-35)27-38(29-39)36-17-9-6-10-18-36)31-42(32-41)54-48-22-14-12-20-44(48)46-24-26-52(4)34(2)50(46)54/h5-22,27-34H,23-26H2,1-4H3.
What are the key properties of 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 702.95 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 58663611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).