4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline

C46H32N4 — CID 118506897

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ncccn6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C46H32N4/c1-3-10-33(11-4-1)35-16-23-39(24-17-35)49(40-25-18-36(19-26-40)34-12-5-2-6-13-34)41-27-20-37(21-28-41)38-22-29-43-42-14-7-8-15-44(42)50(45(43)32-38)46-47-30-9-31-48-46/h1-32H
InChIKeyORBVFDPZMNLXKH-UHFFFAOYSA-N
MW640.79 g/mol
LogP12.04
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline (PubChem CID 118506897) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
PubChem CID118506897
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ncccn6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C46H32N4/c1-3-10-33(11-4-1)35-16-23-39(24-17-35)49(40-25-18-36(19-26-40)34-12-5-2-6-13-34)41-27-20-37(21-28-41)38-22-29-43-42-14-7-8-15-44(42)50(45(43)32-38)46-47-30-9-31-48-46/h1-32H
InChIKeyORBVFDPZMNLXKH-UHFFFAOYSA-N
XLogP12.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-phenylphenyl)-3-(9-pyrimidin-2-ylcarbazol-3-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(6-phenyl-9-pyrimidin-2-ylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
CID 157152795
4-(6-phenanthren-9-yl-9-pyrimidin-2-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118506903
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158952641
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 164807780
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline (CID 118506897) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ncccn6)c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline?
The InChIKey is ORBVFDPZMNLXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-3-10-33(11-4-1)35-16-23-39(24-17-35)49(40-25-18-36(19-26-40)34-12-5-2-6-13-34)41-27-20-37(21-28-41)38-22-29-43-42-14-7-8-15-44(42)50(45(43)32-38)46-47-30-9-31-48-46/h1-32H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline has a molecular weight of 640.79 g/mol, XLogP of 12.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 118506897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).