3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline

C53H35N5 — CID 118504606

IUPAC3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)n6)c5cc43)c2)cc1
InChIInChI=1S/C53H35N5/c1-3-17-36(18-4-1)55(37-19-5-2-6-20-37)38-21-15-22-39(33-38)56-46-27-11-9-25-42(46)44-34-45-43-26-10-14-30-49(43)58(51(45)35-50(44)56)53-32-16-31-52(54-53)57-47-28-12-7-23-40(47)41-24-8-13-29-48(41)57/h1-35H
InChIKeyWFRIDOLHZVCDBL-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.84
Rot. Bonds6

About 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline

3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline (PubChem CID 118504606) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
PubChem CID118504606
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)n6)c5cc43)c2)cc1
InChIInChI=1S/C53H35N5/c1-3-17-36(18-4-1)55(37-19-5-2-6-20-37)38-21-15-22-39(33-38)56-46-27-11-9-25-42(46)44-34-45-43-26-10-14-30-49(43)58(51(45)35-50(44)56)53-32-16-31-52(54-53)57-47-28-12-7-23-40(47)41-24-8-13-29-48(41)57/h1-35H
InChIKeyWFRIDOLHZVCDBL-UHFFFAOYSA-N
XLogP13.84
TPSA30.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
CID 59196853
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098
3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
CID 140680686
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline?
The IUPAC name of 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline (CID 118504606) is 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline?
The canonical SMILES for 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)n6)c5cc43)c2)cc1.
What is the InChIKey of 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline?
The InChIKey is WFRIDOLHZVCDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-3-17-36(18-4-1)55(37-19-5-2-6-20-37)38-21-15-22-39(33-38)56-46-27-11-9-25-42(46)44-34-45-43-26-10-14-30-49(43)58(51(45)35-50(44)56)53-32-16-31-52(54-53)57-47-28-12-7-23-40(47)41-24-8-13-29-48(41)57/h1-35H.
What are the key properties of 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline?
3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline has a molecular weight of 741.90 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline is sourced from PubChem (CID 118504606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).