4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C118H75Br3F6N4 — CID 159334180

IUPAC4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc2ccc3c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2ccc3c(Br)ccc4ccc1c2c43.FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5c(Br)ccc6ccc3c4c65)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C46H29BrN2.C36H20BrF6N.C36H26BrN/c47-42-27-20-32-18-25-39-37(24-17-31-19-26-40(42)46(32)45(31)39)30-15-21-35(22-16-30)48(33-9-3-1-4-10-33)36-23-28-44-41(29-36)38-13-7-8-14-43(38)49(44)34-11-5-2-6-12-34;37-32-20-6-23-4-18-30-29(17-3-22-5-19-31(32)34(23)33(22)30)21-1-11-26(12-2-21)44(27-13-7-24(8-14-27)35(38,39)40)28-15-9-25(10-16-28)36(41,42)43;1-23-22-34(38(27-9-5-3-6-10-27)28-11-7-4-8-12-28)24(2)21-32(23)29-17-13-25-15-19-31-33(37)20-16-26-14-18-30(29)35(25)36(26)31/h1-29H;1-20H;3-22H,1-2H3
InChIKeyLFHYMCBAZKDUMH-UHFFFAOYSA-N
MW1902.63 g/mol
LogP37.20
Rot. Bonds13

About 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine

4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 159334180) has the molecular formula C118H75Br3F6N4 and a molecular weight of 1902.63 g/mol. Its IUPAC name is 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID159334180
Molecular FormulaC118H75Br3F6N4
Molecular Weight1902.63 g/mol
Exact Mass1898.34
IUPAC Name4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc2ccc3c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2ccc3c(Br)ccc4ccc1c2c43.FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5c(Br)ccc6ccc3c4c65)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C46H29BrN2.C36H20BrF6N.C36H26BrN/c47-42-27-20-32-18-25-39-37(24-17-31-19-26-40(42)46(32)45(31)39)30-15-21-35(22-16-30)48(33-9-3-1-4-10-33)36-23-28-44-41(29-36)38-13-7-8-14-43(38)49(44)34-11-5-2-6-12-34;37-32-20-6-23-4-18-30-29(17-3-22-5-19-31(32)34(23)33(22)30)21-1-11-26(12-2-21)44(27-13-7-24(8-14-27)35(38,39)40)28-15-9-25(10-16-28)36(41,42)43;1-23-22-34(38(27-9-5-3-6-10-27)28-11-7-4-8-12-28)24(2)21-32(23)29-17-13-25-15-19-31-33(37)20-16-26-14-18-30(29)35(25)36(26)31/h1-29H;1-20H;3-22H,1-2H3
InChIKeyLFHYMCBAZKDUMH-UHFFFAOYSA-N
XLogP37.20
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001902.63
LogP ≤ 537.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole
CID 58384088
10-Bromo-7-phenyl-7H-benzo[c]carbazole
CID 58410602
9-(4-Biphenylyl)-3-(4-bromophenyl)carbazole
CID 59728582
3,6-Dibromo-9-(triphenylen-2-yl)carbazole
CID 89492331
6-Bromo-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene
CID 122205035
12-[4-(Trifluoromethyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 177572314
3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-YL)-9-(4-fluorophenyl)-9H-carbazole
CID 53416185
9-[3,5-Bis(trifluoromethyl)phenyl]-3,6-bis[2,4,6-tris(trifluoromethyl)phenyl]carbazole
CID 57648512
9-(4-fluorophenyl)-N-[4-[10-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-2-ylamino]anthracen-9-yl]phenyl]-N-naphthalen-2-ylcarbazol-3-amine
CID 57816081
9-(4-fluorophenyl)-N-[4-[10-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]anthracen-9-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine
CID 57816090
9-(4-fluorophenyl)-N-[4-[10-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-methylanilino)anthracen-9-yl]phenyl]-N-(4-methylphenyl)carbazol-3-amine
CID 57816113
9-(4-fluorophenyl)-N-[4-[10-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-phenylanilino)anthracen-9-yl]phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 57816128

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 159334180) is 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine is Brc1ccc2ccc3c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc4ccc1c2c43.Cc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1ccc2ccc3c(Br)ccc4ccc1c2c43.FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5c(Br)ccc6ccc3c4c65)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is LFHYMCBAZKDUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29BrN2.C36H20BrF6N.C36H26BrN/c47-42-27-20-32-18-25-39-37(24-17-31-19-26-40(42)46(32)45(31)39)30-15-21-35(22-16-30)48(33-9-3-1-4-10-33)36-23-28-44-41(29-36)38-13-7-8-14-43(38)49(44)34-11-5-2-6-12-34;37-32-20-6-23-4-18-30-29(17-3-22-5-19-31(32)34(23)33(22)30)21-1-11-26(12-2-21)44(27-13-7-24(8-14-27)35(38,39)40)28-15-9-25(10-16-28)36(41,42)43;1-23-22-34(38(27-9-5-3-6-10-27)28-11-7-4-8-12-28)24(2)21-32(23)29-17-13-25-15-19-31-33(37)20-16-26-14-18-30(29)35(25)36(26)31/h1-29H;1-20H;3-22H,1-2H3.
What are the key properties of 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 1902.63 g/mol, XLogP of 37.20, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromopyren-1-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline;4-(6-bromopyren-1-yl)-2,5-dimethyl-N,N-diphenylaniline;N-[4-(6-bromopyren-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 159334180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).