1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine

C60H41N3 — CID 71175335

IUPAC1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine
SMILESc1ccc(-n2ccc3cc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c4)ccc32)cc1
InChIInChI=1S/C60H41N3/c1-2-20-53(21-3-1)61-33-32-51-34-50(26-31-60(51)61)52-39-58(62(54-27-22-42-12-4-8-16-46(42)35-54)55-28-23-43-13-5-9-17-47(43)36-55)41-59(40-52)63(56-29-24-44-14-6-10-18-48(44)37-56)57-30-25-45-15-7-11-19-49(45)38-57/h1-41H
InChIKeyOJLNJCWJDPGACG-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.85
Rot. Bonds8

About 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine (PubChem CID 71175335) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine
PubChem CID71175335
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine
SMILESc1ccc(-n2ccc3cc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c4)ccc32)cc1
InChIInChI=1S/C60H41N3/c1-2-20-53(21-3-1)61-33-32-51-34-50(26-31-60(51)61)52-39-58(62(54-27-22-42-12-4-8-16-46(42)35-54)55-28-23-43-13-5-9-17-47(43)36-55)41-59(40-52)63(56-29-24-44-14-6-10-18-48(44)37-56)57-30-25-45-15-7-11-19-49(45)38-57/h1-41H
InChIKeyOJLNJCWJDPGACG-UHFFFAOYSA-N
XLogP16.85
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(1-phenylindol-5-yl)phenyl]-N-(4-methoxyphenyl)naphthalen-2-amine
CID 152847421
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
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175591
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
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
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine (CID 71175335) is 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine is c1ccc(-n2ccc3cc(-c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c4)ccc32)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine?
The InChIKey is OJLNJCWJDPGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-2-20-53(21-3-1)61-33-32-51-34-50(26-31-60(51)61)52-39-58(62(54-27-22-42-12-4-8-16-46(42)35-54)55-28-23-43-13-5-9-17-47(43)36-55)41-59(40-52)63(56-29-24-44-14-6-10-18-48(44)37-56)57-30-25-45-15-7-11-19-49(45)38-57/h1-41H.
What are the key properties of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine has a molecular weight of 804.01 g/mol, XLogP of 16.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-(1-phenylindol-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 71175335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).