N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

C198H133N7S4 — CID 161225629

IUPACN,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4cc5ccccc5c5ccccc45)cc3)s2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/C54H36N4.C54H35N.C46H31NS2.C44H31NS2/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-16-43-38(13-1)33-52(49-22-9-7-19-46(43)49)36-25-29-41(30-26-36)55(54-35-40-15-3-6-18-45(40)48-21-11-12-24-51(48)54)42-31-27-37(28-32-42)53-34-39-14-2-5-17-44(39)47-20-8-10-23-50(47)53;1-3-11-32(12-4-1)43-27-29-45(48-43)34-19-23-37(24-20-34)47(42-31-36-15-7-8-16-39(36)40-17-9-10-18-41(40)42)38-25-21-35(22-26-38)46-30-28-44(49-46)33-13-5-2-6-14-33;1-4-10-32(11-5-1)33-16-22-38(23-17-33)45(39-24-18-36(19-25-39)43-30-28-41(46-43)34-12-6-2-7-13-34)40-26-20-37(21-27-40)44-31-29-42(47-44)35-14-8-3-9-15-35/h1-36H;1-35H;1-31H;1-31H
InChIKeyUYBRTKMLRGKQDU-UHFFFAOYSA-N
MW2738.56 g/mol
LogP57.73
Rot. Bonds26

About N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline

N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (PubChem CID 161225629) has the molecular formula C198H133N7S4 and a molecular weight of 2738.56 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
PubChem CID161225629
Molecular FormulaC198H133N7S4
Molecular Weight2738.56 g/mol
Exact Mass2735.95
IUPAC NameN,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4cc5ccccc5c5ccccc45)cc3)s2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12
InChIInChI=1S/C54H36N4.C54H35N.C46H31NS2.C44H31NS2/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-16-43-38(13-1)33-52(49-22-9-7-19-46(43)49)36-25-29-41(30-26-36)55(54-35-40-15-3-6-18-45(40)48-21-11-12-24-51(48)54)42-31-27-37(28-32-42)53-34-39-14-2-5-17-44(39)47-20-8-10-23-50(47)53;1-3-11-32(12-4-1)43-27-29-45(48-43)34-19-23-37(24-20-34)47(42-31-36-15-7-8-16-39(36)40-17-9-10-18-41(40)42)38-25-21-35(22-26-38)46-30-28-44(49-46)33-13-5-2-6-14-33;1-4-10-32(11-5-1)33-16-22-38(23-17-33)45(39-24-18-36(19-25-39)43-30-28-41(46-43)34-12-6-2-7-13-34)40-26-20-37(21-27-40)44-31-29-42(47-44)35-14-8-3-9-15-35/h1-36H;1-35H;1-31H;1-31H
InChIKeyUYBRTKMLRGKQDU-UHFFFAOYSA-N
XLogP57.73
TPSA27.75 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002738.56
LogP ≤ 557.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline with MolForge

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Related Compounds

N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 160673575
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 90128470
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789636
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167322579

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (CID 161225629) is N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4cc5ccccc5c5ccccc45)cc3)s2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)s4)cc3)c3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)cc(-c1ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc1)c1ccccc12.
What is the InChIKey of N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The InChIKey is UYBRTKMLRGKQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4.C54H35N.C46H31NS2.C44H31NS2/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-4-16-43-38(13-1)33-52(49-22-9-7-19-46(43)49)36-25-29-41(30-26-36)55(54-35-40-15-3-6-18-45(40)48-21-11-12-24-51(48)54)42-31-27-37(28-32-42)53-34-39-14-2-5-17-44(39)47-20-8-10-23-50(47)53;1-3-11-32(12-4-1)43-27-29-45(48-43)34-19-23-37(24-20-34)47(42-31-36-15-7-8-16-39(36)40-17-9-10-18-41(40)42)38-25-21-35(22-26-38)46-30-28-44(49-46)33-13-5-2-6-14-33;1-4-10-32(11-5-1)33-16-22-38(23-17-33)45(39-24-18-36(19-25-39)43-30-28-41(46-43)34-12-6-2-7-13-34)40-26-20-37(21-27-40)44-31-29-42(47-44)35-14-8-3-9-15-35/h1-36H;1-35H;1-31H;1-31H.
What are the key properties of N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline?
N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline has a molecular weight of 2738.56 g/mol, XLogP of 57.73, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 161225629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).