N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine

C95H77N5O — CID 158067519

IUPACN-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C41H38N2.C30H22N2.C24H17NO/c1-3-4-11-33-18-26-39(27-19-33)43(37-14-9-6-10-15-37)41-30-22-35(23-31-41)34-20-28-40(29-21-34)42(36-12-7-5-8-13-36)38-24-16-32(2)17-25-38;1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)26-20-21-30-28(22-26)27-18-10-11-19-29(27)32(30)25-16-8-3-9-17-25;1-3-9-18(10-4-1)25(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)26-24/h5-10,12-31H,3-4,11H2,1-2H3;1-22H;1-17H
InChIKeyFLKKXGRPBYWQFT-UHFFFAOYSA-N
MW1304.69 g/mol
LogP27.25
Rot. Bonds17

About N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine

N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine (PubChem CID 158067519) has the molecular formula C95H77N5O and a molecular weight of 1304.69 g/mol. Its IUPAC name is N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine
PubChem CID158067519
Molecular FormulaC95H77N5O
Molecular Weight1304.69 g/mol
Exact Mass1303.61
IUPAC NameN-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C41H38N2.C30H22N2.C24H17NO/c1-3-4-11-33-18-26-39(27-19-33)43(37-14-9-6-10-15-37)41-30-22-35(23-31-41)34-20-28-40(29-21-34)42(36-12-7-5-8-13-36)38-24-16-32(2)17-25-38;1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)26-20-21-30-28(22-26)27-18-10-11-19-29(27)32(30)25-16-8-3-9-17-25;1-3-9-18(10-4-1)25(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)26-24/h5-10,12-31H,3-4,11H2,1-2H3;1-22H;1-17H
InChIKeyFLKKXGRPBYWQFT-UHFFFAOYSA-N
XLogP27.25
TPSA31.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001304.69
LogP ≤ 527.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine?
The IUPAC name of N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine (CID 158067519) is N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine is CCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine?
The InChIKey is FLKKXGRPBYWQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2.C30H22N2.C24H17NO/c1-3-4-11-33-18-26-39(27-19-33)43(37-14-9-6-10-15-37)41-30-22-35(23-31-41)34-20-28-40(29-21-34)42(36-12-7-5-8-13-36)38-24-16-32(2)17-25-38;1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)26-20-21-30-28(22-26)27-18-10-11-19-29(27)32(30)25-16-8-3-9-17-25;1-3-9-18(10-4-1)25(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)26-24/h5-10,12-31H,3-4,11H2,1-2H3;1-22H;1-17H.
What are the key properties of N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine?
N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine has a molecular weight of 1304.69 g/mol, XLogP of 27.25, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 158067519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).