9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole

C86H56N6 — CID 163966802

IUPAC9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7cc(-c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccncc%11%10)cc9)cc8)cc(-c8ccccc8)n7)c6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C86H56N6/c1-3-12-57(13-4-1)58-30-34-67(35-31-58)80-52-71(65-40-44-74(45-41-65)92-84-21-10-8-19-76(84)78-47-49-88-56-86(78)92)53-81(89-80)68-36-32-61(33-37-68)59-22-26-63(27-23-59)69-16-11-17-70(50-69)82-54-72(51-79(90-82)66-14-5-2-6-15-66)64-28-24-60(25-29-64)62-38-42-73(43-39-62)91-83-20-9-7-18-75(83)77-46-48-87-55-85(77)91/h1-56H
InChIKeySMMNQYMFJSBWAM-UHFFFAOYSA-N
MW1173.44 g/mol
LogP22.13
Rot. Bonds12

About 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole

9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole (PubChem CID 163966802) has the molecular formula C86H56N6 and a molecular weight of 1173.44 g/mol. Its IUPAC name is 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
PubChem CID163966802
Molecular FormulaC86H56N6
Molecular Weight1173.44 g/mol
Exact Mass1172.46
IUPAC Name9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7cc(-c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccncc%11%10)cc9)cc8)cc(-c8ccccc8)n7)c6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C86H56N6/c1-3-12-57(13-4-1)58-30-34-67(35-31-58)80-52-71(65-40-44-74(45-41-65)92-84-21-10-8-19-76(84)78-47-49-88-56-86(78)92)53-81(89-80)68-36-32-61(33-37-68)59-22-26-63(27-23-59)69-16-11-17-70(50-69)82-54-72(51-79(90-82)66-14-5-2-6-15-66)64-28-24-60(25-29-64)62-38-42-73(43-39-62)91-83-20-9-7-18-75(83)77-46-48-87-55-85(77)91/h1-56H
InChIKeySMMNQYMFJSBWAM-UHFFFAOYSA-N
XLogP22.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.44
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]pyrido[3,4-b]indole;9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159798097
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[4-[3-[6-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-2-pyridinyl]phenyl]phenyl]carbazole
CID 58943592
9-[4-[4-[3-[3-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 157372045
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
CID 90336618
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole
CID 58527010
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole (CID 163966802) is 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole is c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7cc(-c8ccc(-c9ccc(-n%10c%11ccccc%11c%11ccncc%11%10)cc9)cc8)cc(-c8ccccc8)n7)c6)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is SMMNQYMFJSBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56N6/c1-3-12-57(13-4-1)58-30-34-67(35-31-58)80-52-71(65-40-44-74(45-41-65)92-84-21-10-8-19-76(84)78-47-49-88-56-86(78)92)53-81(89-80)68-36-32-61(33-37-68)59-22-26-63(27-23-59)69-16-11-17-70(50-69)82-54-72(51-79(90-82)66-14-5-2-6-15-66)64-28-24-60(25-29-64)62-38-42-73(43-39-62)91-83-20-9-7-18-75(83)77-46-48-87-55-85(77)91/h1-56H.
What are the key properties of 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole?
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 1173.44 g/mol, XLogP of 22.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 163966802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).