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

C144H98N6S4 — CID 160673575

IUPACN,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
InChIInChI=1S/C54H36N4.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;1-3-11-32(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;1-31H;1-31H
InChIKeyRNFZLZVZNAABHJ-UHFFFAOYSA-N
MW2040.68 g/mol
LogP42.32
Rot. Bonds21

About 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-(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 160673575) has the molecular formula C144H98N6S4 and a molecular weight of 2040.68 g/mol. Its IUPAC name is 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-(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 CID160673575
Molecular FormulaC144H98N6S4
Molecular Weight2040.68 g/mol
Exact Mass2038.67
IUPAC NameN,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
InChIInChI=1S/C54H36N4.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;1-3-11-32(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;1-31H;1-31H
InChIKeyRNFZLZVZNAABHJ-UHFFFAOYSA-N
XLogP42.32
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002040.68
LogP ≤ 542.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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-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
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-(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-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 167003351
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-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443

Frequently Asked Questions

What is the IUPAC name of 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-(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) is 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-(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-(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.
What is the InChIKey of 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 RNFZLZVZNAABHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4.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;1-3-11-32(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;1-31H;1-31H.
What are the key properties of 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-(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 2040.68 g/mol, XLogP of 42.32, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 160673575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).