N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine

C84H56N2 — CID 170226506

IUPACN-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccccc8)cc7)c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5)c4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C84H56N2/c1-3-17-57(18-4-1)59-41-47-71(48-42-59)85(81-55-69-39-37-64-21-7-9-27-75(64)83(69)79-31-13-11-29-77(79)81)72-51-45-63(46-52-72)67-24-15-23-66(53-67)61-33-35-62(36-34-61)68-25-16-26-74(54-68)86(73-49-43-60(44-50-73)58-19-5-2-6-20-58)82-56-70-40-38-65-22-8-10-28-76(65)84(70)80-32-14-12-30-78(80)82/h1-56H
InChIKeyFOSKWEHLLUWEHJ-UHFFFAOYSA-N
MW1093.39 g/mol
LogP23.88
Rot. Bonds11

About N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine

N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine (PubChem CID 170226506) has the molecular formula C84H56N2 and a molecular weight of 1093.39 g/mol. Its IUPAC name is N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
PubChem CID170226506
Molecular FormulaC84H56N2
Molecular Weight1093.39 g/mol
Exact Mass1092.44
IUPAC NameN-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccccc8)cc7)c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5)c4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C84H56N2/c1-3-17-57(18-4-1)59-41-47-71(48-42-59)85(81-55-69-39-37-64-21-7-9-27-75(64)83(69)79-31-13-11-29-77(79)81)72-51-45-63(46-52-72)67-24-15-23-66(53-67)61-33-35-62(36-34-61)68-25-16-26-74(54-68)86(73-49-43-60(44-50-73)58-19-5-2-6-20-58)82-56-70-40-38-65-22-8-10-28-76(65)84(70)80-32-14-12-30-78(80)82/h1-56H
InChIKeyFOSKWEHLLUWEHJ-UHFFFAOYSA-N
XLogP23.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.39
LogP ≤ 523.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100436
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-(4-phenylnaphthalen-1-yl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-9-amine
CID 177100666
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006
2-N-(3-naphthalen-2-ylphenyl)-4-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-N,4-N-diphenylphenanthrene-2,4-diamine
CID 162490064
N-(3,5-diphenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 177079916

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The IUPAC name of N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine (CID 170226506) is N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine.
What is the SMILES notation for N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The canonical SMILES for N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-c6cccc(N(c7ccc(-c8ccccc8)cc7)c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5)c4)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The InChIKey is FOSKWEHLLUWEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2/c1-3-17-57(18-4-1)59-41-47-71(48-42-59)85(81-55-69-39-37-64-21-7-9-27-75(64)83(69)79-31-13-11-29-77(79)81)72-51-45-63(46-52-72)67-24-15-23-66(53-67)61-33-35-62(36-34-61)68-25-16-26-74(54-68)86(73-49-43-60(44-50-73)58-19-5-2-6-20-58)82-56-70-40-38-65-22-8-10-28-76(65)84(70)80-32-14-12-30-78(80)82/h1-56H.
What are the key properties of N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine has a molecular weight of 1093.39 g/mol, XLogP of 23.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine is sourced from PubChem (CID 170226506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).