N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline

C323H279FN18O — CID 157125210

About N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline

N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline (PubChem CID 157125210) has the molecular formula C323H279FN18O and a molecular weight of 4447.91 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline
• PubChem CID: 157125210
• Molecular Formula: C323H279FN18O
• Molecular Weight: 4447.91 g/mol
• Exact Mass: 4444.23
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline
• SMILES: C1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CCC(N(c2ccccc2)c2ccccc2)=C1.C=C(/C=C\C(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C(CCC(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C(CCC(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C(CCC(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C/C=C\C(=C)n1c2ccccc2c2ccccc21.C=CCCC=C.COc1ccc(Nc2ccccc2)cc1.Fc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(Nc2ccc(-c3cccc4ccccc34)cc2)cc1.c1ccc(Nc2ccc(-c3ncccn3)cc2)cc1.c1ccc(Nc2cccc3ccccc23)cc1
• InChI: InChI=1S/C42H30N2.C40H28N2.C36H28N2.3C24H25N.C24H23N.C22H17N.C18H14FN.C18H15N.C16H13N3.C16H13N.C13H13NO.C6H10/c1-3-11-31(12-4-1)32-19-25-36(26-20-32)43(35-13-5-2-6-14-35)37-27-21-33(22-28-37)34-23-29-38(30-24-34)44-41-17-9-7-15-39(41)40-16-8-10-18-42(40)44;1-2-12-33(13-3-1)41(36-27-22-29-10-4-5-11-32(29)28-36)34-23-18-30(19-24-34)31-20-25-35(26-21-31)42-39-16-8-6-14-37(39)38-15-7-9-17-40(38)42;1-3-11-29(12-4-1)37(30-13-5-2-6-14-30)31-23-19-27(20-24-31)28-21-25-32(26-22-28)38-35-17-9-7-15-33(35)34-16-8-10-18-36(34)38;4*1-5-6-11-18(2)19(3)16-17-20(4)25-23-14-9-7-12-21(23)22-13-8-10-15-24(22)25;1-2-9-19(10-3-1)23-20-15-13-18(14-16-20)22-12-6-8-17-7-4-5-11-21(17)22;19-16-10-6-14(7-11-16)15-8-12-18(13-9-15)20-17-4-2-1-3-5-17;1-3-4-9-14(2)19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19;1-2-5-14(6-3-1)19-15-9-7-13(8-10-15)16-17-11-4-12-18-16;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-3-5-6-4-2/h1-30H;1-28H;1-19,21-23,25-26H,20,24H2;3*5-15H,3-4,16-17H2,1-2H3;5-17H,3-4H2,1-2H3;1-16,23H;1-13,20H;3-13H,1-2H2;1-12,19H;1-12,17H;2-10,14H,1H3;3-4H,1-2,5-6H2/b;;;3*6-5-,18-11+;6-5-,17-16-,18-11+;;;9-4-
• InChIKey: AIKSYDUFIRBBEX-BWGHLQBDSA-N
• XLogP: 91.16
• TPSA: 144.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 59
• Heavy Atoms: 343
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4447.91
LogP ≤ 5	91.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline (CID 157125210) is N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline is C1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)CCC(N(c2ccccc2)c2ccccc2)=C1.C=C(/C=C\C(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C(CCC(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C(CCC(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C(CCC(=C)n1c2ccccc2c2ccccc21)/C(C)=C/C=C\C.C=C/C=C\C(=C)n1c2ccccc2c2ccccc21.C=CCCC=C.COc1ccc(Nc2ccccc2)cc1.Fc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(Nc2ccc(-c3cccc4ccccc34)cc2)cc1.c1ccc(Nc2ccc(-c3ncccn3)cc2)cc1.c1ccc(Nc2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline?

The InChIKey is AIKSYDUFIRBBEX-BWGHLQBDSA-N. The full InChI is InChI=1S/C42H30N2.C40H28N2.C36H28N2.3C24H25N.C24H23N.C22H17N.C18H14FN.C18H15N.C16H13N3.C16H13N.C13H13NO.C6H10/c1-3-11-31(12-4-1)32-19-25-36(26-20-32)43(35-13-5-2-6-14-35)37-27-21-33(22-28-37)34-23-29-38(30-24-34)44-41-17-9-7-15-39(41)40-16-8-10-18-42(40)44;1-2-12-33(13-3-1)41(36-27-22-29-10-4-5-11-32(29)28-36)34-23-18-30(19-24-34)31-20-25-35(26-21-31)42-39-16-8-6-14-37(39)38-15-7-9-17-40(38)42;1-3-11-29(12-4-1)37(30-13-5-2-6-14-30)31-23-19-27(20-24-31)28-21-25-32(26-22-28)38-35-17-9-7-15-33(35)34-16-8-10-18-36(34)38;4*1-5-6-11-18(2)19(3)16-17-20(4)25-23-14-9-7-12-21(23)22-13-8-10-15-24(22)25;1-2-9-19(10-3-1)23-20-15-13-18(14-16-20)22-12-6-8-17-7-4-5-11-21(17)22;19-16-10-6-14(7-11-16)15-8-12-18(13-9-15)20-17-4-2-1-3-5-17;1-3-4-9-14(2)19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19;1-2-5-14(6-3-1)19-15-9-7-13(8-10-15)16-17-11-4-12-18-16;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-3-5-6-4-2/h1-30H;1-28H;1-19,21-23,25-26H,20,24H2;3*5-15H,3-4,16-17H2,1-2H3;5-17H,3-4H2,1-2H3;1-16,23H;1-13,20H;3-13H,1-2H2;1-12,19H;1-12,17H;2-10,14H,1H3;3-4H,1-2,5-6H2/b;;;3*6-5-,18-11+;6-5-,17-16-,18-11+;;;9-4-;;;;.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline?

N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline has a molecular weight of 4447.91 g/mol, XLogP of 91.16, 59 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine;4-(4-fluorophenyl)-N-phenylaniline;hexa-1,5-diene;9-[(3Z)-hexa-1,3,5-trien-2-yl]carbazole;4-methoxy-N-phenylaniline;9-[(3Z,6E,8Z)-6-methyl-5-methylidenedeca-1,3,6,8-tetraen-2-yl]carbazole;tris(9-[(6E,8Z)-6-methyl-5-methylidenedeca-1,6,8-trien-2-yl]carbazole);4-naphthalen-1-yl-N-phenylaniline;N-phenylnaphthalen-1-amine;N-phenyl-4-pyrimidin-2-ylaniline is sourced from PubChem (CID 157125210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).