12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine

C46H32N2 — CID 146509014

IUPAC12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cn4c5ccccc5c(-c5ccccc5)c4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-14-33(15-5-1)35-24-28-38(29-25-35)48(39-30-26-36(27-31-39)34-16-6-2-7-17-34)44-32-47-43-23-13-12-22-42(43)45(37-18-8-3-9-19-37)46(47)41-21-11-10-20-40(41)44/h1-32H
InChIKeyNZEPTQVXXRSROS-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.72
Rot. Bonds6

About 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine

12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine (PubChem CID 146509014) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine.

Molecular Properties

Compound Name12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine
PubChem CID146509014
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cn4c5ccccc5c(-c5ccccc5)c4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-14-33(15-5-1)35-24-28-38(29-25-35)48(39-30-26-36(27-31-39)34-16-6-2-7-17-34)44-32-47-43-23-13-12-22-42(43)45(37-18-8-3-9-19-37)46(47)41-21-11-10-20-40(41)44/h1-32H
InChIKeyNZEPTQVXXRSROS-UHFFFAOYSA-N
XLogP12.72
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508928
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
CID 146508462
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
CID 118410903
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 168809019
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038449

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine?
The IUPAC name of 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine (CID 146509014) is 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine.
What is the SMILES notation for 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine?
The canonical SMILES for 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cn4c5ccccc5c(-c5ccccc5)c4c4ccccc34)cc2)cc1.
What is the InChIKey of 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine?
The InChIKey is NZEPTQVXXRSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-4-14-33(15-5-1)35-24-28-38(29-25-35)48(39-30-26-36(27-31-39)34-16-6-2-7-17-34)44-32-47-43-23-13-12-22-42(43)45(37-18-8-3-9-19-37)46(47)41-21-11-10-20-40(41)44/h1-32H.
What are the key properties of 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine?
12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine has a molecular weight of 612.78 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-N,N-bis(4-phenylphenyl)indolo[2,1-a]isoquinolin-5-amine is sourced from PubChem (CID 146509014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).