N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine

C69H47N9+2 — CID 123679643

IUPACN-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine
SMILESc1ccc(N(c2ccc(-[n+]3ccc4[nH]c5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc2)c2ccc3[nH]c4cc[n+](-c5ccc(N(c6ccccc6)c6ccc7[nH]c8ncccc8c7c6)cc5)cc4c3c2)cc1
InChIInChI=1S/C69H45N9/c1-3-12-47(13-4-1)76(51-30-34-64-57(40-51)56-18-11-37-70-69(56)73-64)49-25-21-45(22-26-49)74-38-35-65-60(43-74)58-41-52(29-32-62(58)71-65)77(48-14-5-2-6-15-48)50-27-23-46(24-28-50)75-39-36-66-61(44-75)59-42-53(31-33-63(59)72-66)78-67-19-9-7-16-54(67)55-17-8-10-20-68(55)78/h1-44H,(H,70,73)/p+2
InChIKeyRWCCITMABWHQED-UHFFFAOYSA-P
MW1002.20 g/mol
LogP16.58
Rot. Bonds9

About N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine

N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine (PubChem CID 123679643) has the molecular formula C69H47N9+2 and a molecular weight of 1002.20 g/mol. Its IUPAC name is N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine.

Molecular Properties

Compound NameN-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine
PubChem CID123679643
Molecular FormulaC69H47N9+2
Molecular Weight1002.20 g/mol
Exact Mass1001.39
IUPAC NameN-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine
SMILESc1ccc(N(c2ccc(-[n+]3ccc4[nH]c5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc2)c2ccc3[nH]c4cc[n+](-c5ccc(N(c6ccccc6)c6ccc7[nH]c8ncccc8c7c6)cc5)cc4c3c2)cc1
InChIInChI=1S/C69H45N9/c1-3-12-47(13-4-1)76(51-30-34-64-57(40-51)56-18-11-37-70-69(56)73-64)49-25-21-45(22-26-49)74-38-35-65-60(43-74)58-41-52(29-32-62(58)71-65)77(48-14-5-2-6-15-48)50-27-23-46(24-28-50)75-39-36-66-61(44-75)59-42-53(31-33-63(59)72-66)78-67-19-9-7-16-54(67)55-17-8-10-20-68(55)78/h1-44H,(H,70,73)/p+2
InChIKeyRWCCITMABWHQED-UHFFFAOYSA-P
XLogP16.58
TPSA79.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.20
LogP ≤ 516.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine with MolForge

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Launch Full Analysis

Related Compounds

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CID 24971385
7,12-Dihydro-1,5,7,12-tetraaza-indeno[1,2-a]fluorene
CID 362410
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CID 49836856
7-[4-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
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CID 56666657
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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine?
The IUPAC name of N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine (CID 123679643) is N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine.
What is the SMILES notation for N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine?
The canonical SMILES for N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine is c1ccc(N(c2ccc(-[n+]3ccc4[nH]c5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc2)c2ccc3[nH]c4cc[n+](-c5ccc(N(c6ccccc6)c6ccc7[nH]c8ncccc8c7c6)cc5)cc4c3c2)cc1.
What is the InChIKey of N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine?
The InChIKey is RWCCITMABWHQED-UHFFFAOYSA-P. The full InChI is InChI=1S/C69H45N9/c1-3-12-47(13-4-1)76(51-30-34-64-57(40-51)56-18-11-37-70-69(56)73-64)49-25-21-45(22-26-49)74-38-35-65-60(43-74)58-41-52(29-32-62(58)71-65)77(48-14-5-2-6-15-48)50-27-23-46(24-28-50)75-39-36-66-61(44-75)59-42-53(31-33-63(59)72-66)78-67-19-9-7-16-54(67)55-17-8-10-20-68(55)78/h1-44H,(H,70,73)/p+2.
What are the key properties of N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine?
N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine has a molecular weight of 1002.20 g/mol, XLogP of 16.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-carbazol-9-yl-5H-pyrido[4,3-b]indol-2-ium-2-yl)phenyl]-N-phenyl-2-[4-[N-(9H-pyrido[2,3-b]indol-6-yl)anilino]phenyl]-5H-pyrido[4,3-b]indol-2-ium-8-amine is sourced from PubChem (CID 123679643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).