2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile

C67H51N7 — CID 146630889

IUPAC2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
SMILESCC(C)(C)c1ccc(-c2c(-n3c4ccccc4c4ccncc43)c(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3cccnc32)c(C(C)(C)C)c1
InChIInChI=1S/C67H51N7/c1-66(2,3)41-33-34-50(52(38-41)67(4,5)6)60-63(73-57-31-17-11-24-46(57)48-35-37-69-40-59(48)73)61(71-53-27-13-7-20-42(53)43-21-8-14-28-54(43)71)51(39-68)62(72-55-29-15-9-22-44(55)45-23-10-16-30-56(45)72)64(60)74-58-32-18-12-25-47(58)49-26-19-36-70-65(49)74/h7-38,40H,1-6H3
InChIKeyRHIPHDYJHHMKSZ-UHFFFAOYSA-N
MW954.19 g/mol
LogP17.00
Rot. Bonds5

About 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile

2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile (PubChem CID 146630889) has the molecular formula C67H51N7 and a molecular weight of 954.19 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile.

Molecular Properties

Compound Name2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
PubChem CID146630889
Molecular FormulaC67H51N7
Molecular Weight954.19 g/mol
Exact Mass953.42
IUPAC Name2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
SMILESCC(C)(C)c1ccc(-c2c(-n3c4ccccc4c4ccncc43)c(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3cccnc32)c(C(C)(C)C)c1
InChIInChI=1S/C67H51N7/c1-66(2,3)41-33-34-50(52(38-41)67(4,5)6)60-63(73-57-31-17-11-24-46(57)48-35-37-69-40-59(48)73)61(71-53-27-13-7-20-42(53)43-21-8-14-28-54(43)71)51(39-68)62(72-55-29-15-9-22-44(55)45-23-10-16-30-56(45)72)64(60)74-58-32-18-12-25-47(58)49-26-19-36-70-65(49)74/h7-38,40H,1-6H3
InChIKeyRHIPHDYJHHMKSZ-UHFFFAOYSA-N
XLogP17.00
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.19
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile with MolForge

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Related Compounds

3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
CID 176628062
2,6-di(carbazol-9-yl)-4-[3-(2,2-dimethylpropyl)phenyl]-3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile
CID 146631490
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,4-ditert-butylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 146631539
methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 157460993
2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-pyrido[3,2-b]indol-5-ylphenyl)benzonitrile
CID 139507241
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(9,9'-spirobi[fluorene]-4'-yl)benzonitrile
CID 139507170
2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile
CID 146631255
2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523829

Frequently Asked Questions

What is the IUPAC name of 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
The IUPAC name of 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile (CID 146630889) is 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile.
What is the SMILES notation for 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
The canonical SMILES for 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile is CC(C)(C)c1ccc(-c2c(-n3c4ccccc4c4ccncc43)c(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3cccnc32)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
The InChIKey is RHIPHDYJHHMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N7/c1-66(2,3)41-33-34-50(52(38-41)67(4,5)6)60-63(73-57-31-17-11-24-46(57)48-35-37-69-40-59(48)73)61(71-53-27-13-7-20-42(53)43-21-8-14-28-54(43)71)51(39-68)62(72-55-29-15-9-22-44(55)45-23-10-16-30-56(45)72)64(60)74-58-32-18-12-25-47(58)49-26-19-36-70-65(49)74/h7-38,40H,1-6H3.
What are the key properties of 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile?
2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile has a molecular weight of 954.19 g/mol, XLogP of 17.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile is sourced from PubChem (CID 146630889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).