9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole

C90H54N12 — CID 151501628

IUPAC9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-n6c7ccccc7c7ccncc76)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc(-n4c5ccc(-n6c7ccccc7c7ccncc76)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)c3)n2)cc1
InChIInChI=1S/C90H54N12/c1-3-15-55(16-4-1)76-50-77(56-17-5-2-6-18-56)96-90(95-76)57-43-62(101-82-31-27-58(97-78-23-11-7-19-64(78)68-35-39-91-51-86(68)97)46-72(82)73-47-59(28-32-83(73)101)98-79-24-12-8-20-65(79)69-36-40-92-52-87(69)98)45-63(44-57)102-84-33-29-60(99-80-25-13-9-21-66(80)70-37-41-93-53-88(70)99)48-74(84)75-49-61(30-34-85(75)102)100-81-26-14-10-22-67(81)71-38-42-94-54-89(71)100/h1-54H
InChIKeyPQNYHKUVHADTPM-UHFFFAOYSA-N
MW1303.51 g/mol
LogP21.64
Rot. Bonds9

About 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole

9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole (PubChem CID 151501628) has the molecular formula C90H54N12 and a molecular weight of 1303.51 g/mol. Its IUPAC name is 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
PubChem CID151501628
Molecular FormulaC90H54N12
Molecular Weight1303.51 g/mol
Exact Mass1302.46
IUPAC Name9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-n6c7ccccc7c7ccncc76)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc(-n4c5ccc(-n6c7ccccc7c7ccncc76)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)c3)n2)cc1
InChIInChI=1S/C90H54N12/c1-3-15-55(16-4-1)76-50-77(56-17-5-2-6-18-56)96-90(95-76)57-43-62(101-82-31-27-58(97-78-23-11-7-19-64(78)68-35-39-91-51-86(68)97)46-72(82)73-47-59(28-32-83(73)101)98-79-24-12-8-20-65(79)69-36-40-92-52-87(69)98)45-63(44-57)102-84-33-29-60(99-80-25-13-9-21-66(80)70-37-41-93-53-88(70)99)48-74(84)75-49-61(30-34-85(75)102)100-81-26-14-10-22-67(81)71-38-42-94-54-89(71)100/h1-54H
InChIKeyPQNYHKUVHADTPM-UHFFFAOYSA-N
XLogP21.64
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.51
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]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-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
9-[3-[4,6-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 139554443
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
CID 162774177
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
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
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole?
The IUPAC name of 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole (CID 151501628) is 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-n6c7ccccc7c7ccncc76)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)cc(-n4c5ccc(-n6c7ccccc7c7ccncc76)cc5c5cc(-n6c7ccccc7c7ccncc76)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole?
The InChIKey is PQNYHKUVHADTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N12/c1-3-15-55(16-4-1)76-50-77(56-17-5-2-6-18-56)96-90(95-76)57-43-62(101-82-31-27-58(97-78-23-11-7-19-64(78)68-35-39-91-51-86(68)97)46-72(82)73-47-59(28-32-83(73)101)98-79-24-12-8-20-65(79)69-36-40-92-52-87(69)98)45-63(44-57)102-84-33-29-60(99-80-25-13-9-21-66(80)70-37-41-93-53-88(70)99)48-74(84)75-49-61(30-34-85(75)102)100-81-26-14-10-22-67(81)71-38-42-94-54-89(71)100/h1-54H.
What are the key properties of 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole?
9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole has a molecular weight of 1303.51 g/mol, XLogP of 21.64, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 151501628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).