N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine

C44H30N6 — CID 59661056

IUPACN-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine
SMILESc1ccc(-n2nc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nn(-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C44H30N6/c1-3-15-33(16-4-1)49-41-25-13-9-21-37(41)43(45-49)48(44-38-22-10-14-26-42(38)50(46-44)34-17-5-2-6-18-34)32-29-27-31(28-30-32)47-39-23-11-7-19-35(39)36-20-8-12-24-40(36)47/h1-30H
InChIKeyFIDADDYJROCFCN-UHFFFAOYSA-N
MW642.77 g/mol
LogP10.93
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine

N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine (PubChem CID 59661056) has the molecular formula C44H30N6 and a molecular weight of 642.77 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine
PubChem CID59661056
Molecular FormulaC44H30N6
Molecular Weight642.77 g/mol
Exact Mass642.25
IUPAC NameN-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine
SMILESc1ccc(-n2nc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nn(-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C44H30N6/c1-3-15-33(16-4-1)49-41-25-13-9-21-37(41)43(45-49)48(44-38-22-10-14-26-42(38)50(46-44)34-17-5-2-6-18-34)32-29-27-31(28-30-32)47-39-23-11-7-19-35(39)36-20-8-12-24-40(36)47/h1-30H
InChIKeyFIDADDYJROCFCN-UHFFFAOYSA-N
XLogP10.93
TPSA43.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.77
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine (CID 59661056) is N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine is c1ccc(-n2nc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3nn(-c4ccccc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine?
The InChIKey is FIDADDYJROCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6/c1-3-15-33(16-4-1)49-41-25-13-9-21-37(41)43(45-49)48(44-38-22-10-14-26-42(38)50(46-44)34-17-5-2-6-18-34)32-29-27-31(28-30-32)47-39-23-11-7-19-35(39)36-20-8-12-24-40(36)47/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine?
N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine has a molecular weight of 642.77 g/mol, XLogP of 10.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine is sourced from PubChem (CID 59661056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).