N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine

C164H108N6 — CID 158524889

IUPACN-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)cc2)c2ccc3c(c2)-c2cccc4cccc-3c24)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/2C56H36N2.C52H36N2/c1-3-15-41(16-4-1)57(45-31-33-47-49-19-7-11-39-13-9-21-51(55(39)49)53(47)35-45)43-27-23-37(24-28-43)38-25-29-44(30-26-38)58(42-17-5-2-6-18-42)46-32-34-48-50-20-8-12-40-14-10-22-52(56(40)50)54(48)36-46;1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-3-13-43(14-4-1)53(47-31-33-51-41(35-47)21-19-39-11-7-9-17-49(39)51)45-27-23-37(24-28-45)38-25-29-46(30-26-38)54(44-15-5-2-6-16-44)48-32-34-52-42(36-48)22-20-40-12-8-10-18-50(40)52/h2*1-36H;1-36H
InChIKeyHMRCABQNSHCYJO-UHFFFAOYSA-N
MW2162.71 g/mol
LogP46.89
Rot. Bonds21

About N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine

N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine (PubChem CID 158524889) has the molecular formula C164H108N6 and a molecular weight of 2162.71 g/mol. Its IUPAC name is N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
PubChem CID158524889
Molecular FormulaC164H108N6
Molecular Weight2162.71 g/mol
Exact Mass2160.86
IUPAC NameN-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)cc2)c2ccc3c(c2)-c2cccc4cccc-3c24)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/2C56H36N2.C52H36N2/c1-3-15-41(16-4-1)57(45-31-33-47-49-19-7-11-39-13-9-21-51(55(39)49)53(47)35-45)43-27-23-37(24-28-43)38-25-29-44(30-26-38)58(42-17-5-2-6-18-42)46-32-34-48-50-20-8-12-40-14-10-22-52(56(40)50)54(48)36-46;1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-3-13-43(14-4-1)53(47-31-33-51-41(35-47)21-19-39-11-7-9-17-49(39)51)45-27-23-37(24-28-45)38-25-29-46(30-26-38)54(44-15-5-2-6-16-44)48-32-34-52-42(36-48)22-20-40-12-8-10-18-50(40)52/h2*1-36H;1-36H
InChIKeyHMRCABQNSHCYJO-UHFFFAOYSA-N
XLogP46.89
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002162.71
LogP ≤ 546.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine with MolForge

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Related Compounds

N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
CID 166875448
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 167184269
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167182328

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The IUPAC name of N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine (CID 158524889) is N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine.
What is the SMILES notation for N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The canonical SMILES for N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)cc2)c2ccc3c(c2)-c2cccc4cccc-3c24)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The InChIKey is HMRCABQNSHCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H36N2.C52H36N2/c1-3-15-41(16-4-1)57(45-31-33-47-49-19-7-11-39-13-9-21-51(55(39)49)53(47)35-45)43-27-23-37(24-28-43)38-25-29-44(30-26-38)58(42-17-5-2-6-18-42)46-32-34-48-50-20-8-12-40-14-10-22-52(56(40)50)54(48)36-46;1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-3-13-43(14-4-1)53(47-31-33-51-41(35-47)21-19-39-11-7-9-17-49(39)51)45-27-23-37(24-28-45)38-25-29-46(30-26-38)54(44-15-5-2-6-16-44)48-32-34-52-42(36-48)22-20-40-12-8-10-18-50(40)52/h2*1-36H;1-36H.
What are the key properties of N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine has a molecular weight of 2162.71 g/mol, XLogP of 46.89, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-fluoranthen-8-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-8-amine;N-[4-[4-(N-phenanthren-2-ylanilino)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine is sourced from PubChem (CID 158524889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).