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

C50H53N7 — CID 58663524

IUPAC9-[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
SMILESCC1c2c(c3ccccc3n2-c2ccc(-c3cc(N4c5ccccc5C5CCN(C)C(C)C54)nc(-n4c5c(c6ccccc64)CCN(C)C5C)c3)cc2)CCN1C
InChIInChI=1S/C50H53N7/c1-31-48-40(23-26-52(31)4)37-13-7-10-16-43(37)55(48)36-21-19-34(20-22-36)35-29-46(56-44-17-11-8-14-38(44)41-24-27-53(5)32(2)49(41)56)51-47(30-35)57-45-18-12-9-15-39(45)42-25-28-54(6)33(3)50(42)57/h7-22,29-33,41,49H,23-28H2,1-6H3
InChIKeyZCTOREBZTGUOMD-UHFFFAOYSA-N
MW752.02 g/mol
LogP10.06
Rot. Bonds4

About 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

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 (PubChem CID 58663524) has the molecular formula C50H53N7 and a molecular weight of 752.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID58663524
Molecular FormulaC50H53N7
Molecular Weight752.02 g/mol
Exact Mass751.44
IUPAC Name9-[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
SMILESCC1c2c(c3ccccc3n2-c2ccc(-c3cc(N4c5ccccc5C5CCN(C)C(C)C54)nc(-n4c5c(c6ccccc64)CCN(C)C5C)c3)cc2)CCN1C
InChIInChI=1S/C50H53N7/c1-31-48-40(23-26-52(31)4)37-13-7-10-16-43(37)55(48)36-21-19-34(20-22-36)35-29-46(56-44-17-11-8-14-38(44)41-24-27-53(5)32(2)49(41)56)51-47(30-35)57-45-18-12-9-15-39(45)42-25-28-54(6)33(3)50(42)57/h7-22,29-33,41,49H,23-28H2,1-6H3
InChIKeyZCTOREBZTGUOMD-UHFFFAOYSA-N
XLogP10.06
TPSA35.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.02
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

9-[3,5-bis[4-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663535
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
9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663548
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-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 164983675
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(2,6-diphenyl-4-pyridinyl)carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167712900
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 150665244
10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795507
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1c2c(c3ccccc3n2-c2ccc(-c3cc(N4c5ccccc5C5CCN(C)C(C)C54)nc(-n4c5c(c6ccccc64)CCN(C)C5C)c3)cc2)CCN1C.
What is the InChIKey of 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?
The InChIKey is ZCTOREBZTGUOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53N7/c1-31-48-40(23-26-52(31)4)37-13-7-10-16-43(37)55(48)36-21-19-34(20-22-36)35-29-46(56-44-17-11-8-14-38(44)41-24-27-53(5)32(2)49(41)56)51-47(30-35)57-45-18-12-9-15-39(45)42-25-28-54(6)33(3)50(42)57/h7-22,29-33,41,49H,23-28H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 752.02 g/mol, XLogP of 10.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58663524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).