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

C70H45N8+ — CID 123849389

IUPACN-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccc(-[n+]3ccc4[nH]c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9[nH]c%10ccccc%10c9c8)ccc76)cc5c4c3)cc2)c2ccc3[nH]c4ccncc4c3c2)cc1
InChIInChI=1S/C70H44N8/c1-2-10-46(11-3-1)76(48-24-27-63-55(38-48)59-41-71-34-32-65(59)73-63)47-22-20-45(21-23-47)75-35-33-66-60(42-75)56-40-50(26-29-64(56)74-66)78-68-17-9-6-14-53(68)58-37-44(19-31-70(58)78)43-18-30-69-57(36-43)52-13-5-8-16-67(52)77(69)49-25-28-62-54(39-49)51-12-4-7-15-61(51)72-62/h1-42,72H,(H,71,73)/p+1
InChIKeyOORLQVFSDOVMSH-UHFFFAOYSA-O
MW998.19 g/mol
LogP17.59
Rot. Bonds7

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

N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine (PubChem CID 123849389) has the molecular formula C70H45N8+ and a molecular weight of 998.19 g/mol. Its IUPAC name is N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound NameN-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine
PubChem CID123849389
Molecular FormulaC70H45N8+
Molecular Weight998.19 g/mol
Exact Mass997.38
IUPAC NameN-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccc(-[n+]3ccc4[nH]c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9[nH]c%10ccccc%10c9c8)ccc76)cc5c4c3)cc2)c2ccc3[nH]c4ccncc4c3c2)cc1
InChIInChI=1S/C70H44N8/c1-2-10-46(11-3-1)76(48-24-27-63-55(38-48)59-41-71-34-32-65(59)73-63)47-22-20-45(21-23-47)75-35-33-66-60(42-75)56-40-50(26-29-64(56)74-66)78-68-17-9-6-14-53(68)58-37-44(19-31-70(58)78)43-18-30-69-57(36-43)52-13-5-8-16-67(52)77(69)49-25-28-62-54(39-49)51-12-4-7-15-61(51)72-62/h1-42,72H,(H,71,73)/p+1
InChIKeyOORLQVFSDOVMSH-UHFFFAOYSA-O
XLogP17.59
TPSA77.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.19
LogP ≤ 517.59
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-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine with MolForge

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Related Compounds

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6,12-Dipyridin-3-yl-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine?
The IUPAC name of N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine (CID 123849389) is N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine.
What is the SMILES notation for N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine?
The canonical SMILES for N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine is c1ccc(N(c2ccc(-[n+]3ccc4[nH]c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9[nH]c%10ccccc%10c9c8)ccc76)cc5c4c3)cc2)c2ccc3[nH]c4ccncc4c3c2)cc1.
What is the InChIKey of N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine?
The InChIKey is OORLQVFSDOVMSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C70H44N8/c1-2-10-46(11-3-1)76(48-24-27-63-55(38-48)59-41-71-34-32-65(59)73-63)47-22-20-45(21-23-47)75-35-33-66-60(42-75)56-40-50(26-29-64(56)74-66)78-68-17-9-6-14-53(68)58-37-44(19-31-70(58)78)43-18-30-69-57(36-43)52-13-5-8-16-67(52)77(69)49-25-28-62-54(39-49)51-12-4-7-15-61(51)72-62/h1-42,72H,(H,71,73)/p+1.
What are the key properties of N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine?
N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine has a molecular weight of 998.19 g/mol, XLogP of 17.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[3-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-5H-pyrido[4,3-b]indol-2-ium-2-yl]phenyl]-N-phenyl-5H-pyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 123849389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).