N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine

C51H37N3O — CID 152847421

IUPACN-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
SMILESCOc1ccc(N(c2cc(-c3ccc4c(ccn4-c4ccccc4)c3)cc(-c3ccc4c(ccn4-c4ccccc4)c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C51H37N3O/c1-55-49-22-20-46(21-23-49)54(47-19-16-36-10-8-9-11-37(36)33-47)48-34-42(38-17-24-50-40(30-38)26-28-52(50)44-12-4-2-5-13-44)32-43(35-48)39-18-25-51-41(31-39)27-29-53(51)45-14-6-3-7-15-45/h2-35H,1H3
InChIKeyTUKLJDRDQACVDC-UHFFFAOYSA-N
MW707.88 g/mol
LogP13.54
Rot. Bonds8

About N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine

N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine (PubChem CID 152847421) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
PubChem CID152847421
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC NameN-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
SMILESCOc1ccc(N(c2cc(-c3ccc4c(ccn4-c4ccccc4)c3)cc(-c3ccc4c(ccn4-c4ccccc4)c3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C51H37N3O/c1-55-49-22-20-46(21-23-49)54(47-19-16-36-10-8-9-11-37(36)33-47)48-34-42(38-17-24-50-40(30-38)26-28-52(50)44-12-4-2-5-13-44)32-43(35-48)39-18-25-51-41(31-39)27-29-53(51)45-14-6-3-7-15-45/h2-35H,1H3
InChIKeyTUKLJDRDQACVDC-UHFFFAOYSA-N
XLogP13.54
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine
CID 71175335
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
CID 71100769
5-(1-phenylindol-5-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetranaphthalen-1-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[1-(4-phenylphenyl)indol-5-yl]benzene-1,3-diamine
CID 159943558
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-4-[4-[4-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 162135507
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine
CID 162497114
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine?
The IUPAC name of N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine (CID 152847421) is N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine?
The canonical SMILES for N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine is COc1ccc(N(c2cc(-c3ccc4c(ccn4-c4ccccc4)c3)cc(-c3ccc4c(ccn4-c4ccccc4)c3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine?
The InChIKey is TUKLJDRDQACVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-55-49-22-20-46(21-23-49)54(47-19-16-36-10-8-9-11-37(36)33-47)48-34-42(38-17-24-50-40(30-38)26-28-52(50)44-12-4-2-5-13-44)32-43(35-48)39-18-25-51-41(31-39)27-29-53(51)45-14-6-3-7-15-45/h2-35H,1H3.
What are the key properties of N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine?
N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine has a molecular weight of 707.88 g/mol, XLogP of 13.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine is sourced from PubChem (CID 152847421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).