N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C100H66N2 — CID 167183724

IUPACN-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6c(-c7cccc(N(c8ccc(-c9cc%10ccccc%10c%10c9ccc9ccccc9%10)cc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)c7)cc7ccccc7c6c45)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C100H66N2/c1-5-23-67(24-6-1)69-43-52-80(53-44-69)101(96-62-60-84(70-27-9-3-10-28-70)89-40-19-20-41-90(89)96)81-54-45-73(46-55-81)85-42-22-34-75-50-59-92-94(66-79-33-15-18-39-88(79)100(92)98(75)85)77-35-21-36-83(63-77)102(97-61-51-76(68-25-7-2-8-26-68)64-95(97)71-29-11-4-12-30-71)82-56-47-74(48-57-82)93-65-78-32-14-17-38-87(78)99-86-37-16-13-31-72(86)49-58-91(93)99/h1-66H
InChIKeyFZBGYOCVSSSWJO-UHFFFAOYSA-N
MW1295.64 g/mol
LogP28.37
Rot. Bonds13

About N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167183724) has the molecular formula C100H66N2 and a molecular weight of 1295.64 g/mol. Its IUPAC name is N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167183724
Molecular FormulaC100H66N2
Molecular Weight1295.64 g/mol
Exact Mass1294.52
IUPAC NameN-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6c(-c7cccc(N(c8ccc(-c9cc%10ccccc%10c%10c9ccc9ccccc9%10)cc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)c7)cc7ccccc7c6c45)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C100H66N2/c1-5-23-67(24-6-1)69-43-52-80(53-44-69)101(96-62-60-84(70-27-9-3-10-28-70)89-40-19-20-41-90(89)96)81-54-45-73(46-55-81)85-42-22-34-75-50-59-92-94(66-79-33-15-18-39-88(79)100(92)98(75)85)77-35-21-36-83(63-77)102(97-61-51-76(68-25-7-2-8-26-68)64-95(97)71-29-11-4-12-30-71)82-56-47-74(48-57-82)93-65-78-32-14-17-38-87(78)99-86-37-16-13-31-72(86)49-58-91(93)99/h1-66H
InChIKeyFZBGYOCVSSSWJO-UHFFFAOYSA-N
XLogP28.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.64
LogP ≤ 528.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine
CID 167182110
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 166566557
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
N-(4-benzo[c]phenanthren-6-ylphenyl)-3-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183283
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-3-phenylaniline
CID 177100631
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167183896

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 167183724) is N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6c(-c7cccc(N(c8ccc(-c9cc%10ccccc%10c%10c9ccc9ccccc9%10)cc8)c8ccc(-c9ccccc9)cc8-c8ccccc8)c7)cc7ccccc7c6c45)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is FZBGYOCVSSSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H66N2/c1-5-23-67(24-6-1)69-43-52-80(53-44-69)101(96-62-60-84(70-27-9-3-10-28-70)89-40-19-20-41-90(89)96)81-54-45-73(46-55-81)85-42-22-34-75-50-59-92-94(66-79-33-15-18-39-88(79)100(92)98(75)85)77-35-21-36-83(63-77)102(97-61-51-76(68-25-7-2-8-26-68)64-95(97)71-29-11-4-12-30-71)82-56-47-74(48-57-82)93-65-78-32-14-17-38-87(78)99-86-37-16-13-31-72(86)49-58-91(93)99/h1-66H.
What are the key properties of N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 1295.64 g/mol, XLogP of 28.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167183724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).