4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene

C101H70BrN3 — CID 160921097

IUPAC4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C50H34N2.C33H22.C18H14BrN/c1-4-16-35(17-5-1)49-42-23-10-12-25-44(42)50(45-26-13-11-24-43(45)49)36-28-33-48-46(34-36)41-22-14-15-27-47(41)52(48)40-31-29-39(30-32-40)51(37-18-6-2-7-19-37)38-20-8-3-9-21-38;1-2-10-22(11-3-1)32-27-14-6-8-16-29(27)33(30-17-9-7-15-28(30)32)25-19-18-24-20-23-12-4-5-13-26(23)31(24)21-25;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-34H;1-19,21H,20H2;1-14H
InChIKeySSARUFQUVXTRPM-UHFFFAOYSA-N
MW1405.60 g/mol
LogP28.71
Rot. Bonds11

About 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene

4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene (PubChem CID 160921097) has the molecular formula C101H70BrN3 and a molecular weight of 1405.60 g/mol. Its IUPAC name is 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene.

Molecular Properties

Compound Name4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene
PubChem CID160921097
Molecular FormulaC101H70BrN3
Molecular Weight1405.60 g/mol
Exact Mass1403.48
IUPAC Name4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C50H34N2.C33H22.C18H14BrN/c1-4-16-35(17-5-1)49-42-23-10-12-25-44(42)50(45-26-13-11-24-43(45)49)36-28-33-48-46(34-36)41-22-14-15-27-47(41)52(48)40-31-29-39(30-32-40)51(37-18-6-2-7-19-37)38-20-8-3-9-21-38;1-2-10-22(11-3-1)32-27-14-6-8-16-29(27)33(30-17-9-7-15-28(30)32)25-19-18-24-20-23-12-4-5-13-26(23)31(24)21-25;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-34H;1-19,21H,20H2;1-14H
InChIKeySSARUFQUVXTRPM-UHFFFAOYSA-N
XLogP28.71
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.60
LogP ≤ 528.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene with MolForge

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Related Compounds

9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
CID 159346046
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
9-(4-bromophenyl)-10-phenylanthracene;2-carbazol-9-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-(9H-fluoren-2-yl)carbazole;pentane
CID 159800677
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine;N-(9H-fluoren-3-yl)-N-phenyl-9H-carbazol-3-amine
CID 158936176
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
CID 143813917
9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159545933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene?
The IUPAC name of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene (CID 160921097) is 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene.
What is the SMILES notation for 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene?
The canonical SMILES for 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene is Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene?
The InChIKey is SSARUFQUVXTRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2.C33H22.C18H14BrN/c1-4-16-35(17-5-1)49-42-23-10-12-25-44(42)50(45-26-13-11-24-43(45)49)36-28-33-48-46(34-36)41-22-14-15-27-47(41)52(48)40-31-29-39(30-32-40)51(37-18-6-2-7-19-37)38-20-8-3-9-21-38;1-2-10-22(11-3-1)32-27-14-6-8-16-29(27)33(30-17-9-7-15-28(30)32)25-19-18-24-20-23-12-4-5-13-26(23)31(24)21-25;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-34H;1-19,21H,20H2;1-14H.
What are the key properties of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene?
4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene has a molecular weight of 1405.60 g/mol, XLogP of 28.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-[3-(10-phenylanthracen-9-yl)carbazol-9-yl]aniline;9-(9H-fluoren-3-yl)-10-phenylanthracene is sourced from PubChem (CID 160921097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).