N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine

C128H99N3O — CID 164956359

IUPACN,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C46H43N.C44H29NO.C38H27N/c1-45(2,3)38-21-13-32(14-22-38)34-17-25-40(26-18-34)47(42-29-30-44-37(31-42)12-11-36-9-7-8-10-43(36)44)41-27-19-35(20-28-41)33-15-23-39(24-16-33)46(4,5)6;1-2-9-30(10-3-1)33-12-8-13-34(27-33)31-19-21-36(22-20-31)45(38-24-26-42-41-15-6-7-16-43(41)46-44(42)29-38)37-23-25-40-35(28-37)18-17-32-11-4-5-14-39(32)40;1-3-9-28(10-4-1)30-17-21-34(22-18-30)39(35-23-19-31(20-24-35)29-11-5-2-6-12-29)36-25-26-38-33(27-36)16-15-32-13-7-8-14-37(32)38/h7-31H,1-6H3;1-29H;1-27H
InChIKeyBFMJMCHHGBKTTP-UHFFFAOYSA-N
MW1695.22 g/mol
LogP36.88
Rot. Bonds15

About N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine

N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 164956359) has the molecular formula C128H99N3O and a molecular weight of 1695.22 g/mol. Its IUPAC name is N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID164956359
Molecular FormulaC128H99N3O
Molecular Weight1695.22 g/mol
Exact Mass1693.78
IUPAC NameN,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C46H43N.C44H29NO.C38H27N/c1-45(2,3)38-21-13-32(14-22-38)34-17-25-40(26-18-34)47(42-29-30-44-37(31-42)12-11-36-9-7-8-10-43(36)44)41-27-19-35(20-28-41)33-15-23-39(24-16-33)46(4,5)6;1-2-9-30(10-3-1)33-12-8-13-34(27-33)31-19-21-36(22-20-31)45(38-24-26-42-41-15-6-7-16-43(41)46-44(42)29-38)37-23-25-40-35(28-37)18-17-32-11-4-5-14-39(32)40;1-3-9-28(10-4-1)30-17-21-34(22-18-30)39(35-23-19-31(20-24-35)29-11-5-2-6-12-29)36-25-26-38-33(27-36)16-15-32-13-7-8-14-37(32)38/h7-31H,1-6H3;1-29H;1-27H
InChIKeyBFMJMCHHGBKTTP-UHFFFAOYSA-N
XLogP36.88
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001695.22
LogP ≤ 536.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 164956359) is N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is BFMJMCHHGBKTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N.C44H29NO.C38H27N/c1-45(2,3)38-21-13-32(14-22-38)34-17-25-40(26-18-34)47(42-29-30-44-37(31-42)12-11-36-9-7-8-10-43(36)44)41-27-19-35(20-28-41)33-15-23-39(24-16-33)46(4,5)6;1-2-9-30(10-3-1)33-12-8-13-34(27-33)31-19-21-36(22-20-31)45(38-24-26-42-41-15-6-7-16-43(41)46-44(42)29-38)37-23-25-40-35(28-37)18-17-32-11-4-5-14-39(32)40;1-3-9-28(10-4-1)30-17-21-34(22-18-30)39(35-23-19-31(20-24-35)29-11-5-2-6-12-29)36-25-26-38-33(27-36)16-15-32-13-7-8-14-37(32)38/h7-31H,1-6H3;1-29H;1-27H.
What are the key properties of N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 1695.22 g/mol, XLogP of 36.88, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 164956359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).