1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C84H59Cl2IN4 — CID 158166974

IUPAC1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESClc1ccc(I)cc1.Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C42H29ClN2.C36H26N2.C6H4ClI/c43-34-20-26-38(27-21-34)44(36-22-15-31(16-23-36)30-9-3-1-4-10-30)37-24-17-32(18-25-37)33-19-28-42-40(29-33)39-13-7-8-14-41(39)45(42)35-11-5-2-6-12-35;1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32;7-5-1-3-6(8)4-2-5/h1-29H;1-25,37H;1-4H
InChIKeyFWYQUWWWULWYPN-UHFFFAOYSA-N
MW1322.23 g/mol
LogP25.05
Rot. Bonds11

About 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 158166974) has the molecular formula C84H59Cl2IN4 and a molecular weight of 1322.23 g/mol. Its IUPAC name is 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID158166974
Molecular FormulaC84H59Cl2IN4
Molecular Weight1322.23 g/mol
Exact Mass1320.32
IUPAC Name1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESClc1ccc(I)cc1.Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C42H29ClN2.C36H26N2.C6H4ClI/c43-34-20-26-38(27-21-34)44(36-22-15-31(16-23-36)30-9-3-1-4-10-30)37-24-17-32(18-25-37)33-19-28-42-40(29-33)39-13-7-8-14-41(39)45(42)35-11-5-2-6-12-35;1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32;7-5-1-3-6(8)4-2-5/h1-29H;1-25,37H;1-4H
InChIKeyFWYQUWWWULWYPN-UHFFFAOYSA-N
XLogP25.05
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.23
LogP ≤ 525.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
CID 159139576
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
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-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
9-(4-iodophenyl)-3-phenylcarbazole
CID 167227803
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 158166974) is 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Clc1ccc(I)cc1.Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is FWYQUWWWULWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29ClN2.C36H26N2.C6H4ClI/c43-34-20-26-38(27-21-34)44(36-22-15-31(16-23-36)30-9-3-1-4-10-30)37-24-17-32(18-25-37)33-19-28-42-40(29-33)39-13-7-8-14-41(39)45(42)35-11-5-2-6-12-35;1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32;7-5-1-3-6(8)4-2-5/h1-29H;1-25,37H;1-4H.
What are the key properties of 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 1322.23 g/mol, XLogP of 25.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 158166974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).