N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine

C44H29BrN4 — CID 144888468

IUPACN-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine
SMILESBrc1cc(N(c2ccc3ccccc3c2)c2cnc(-c3ccccc3)nc2-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H29BrN4/c45-34-26-36(28-37(27-34)49-40-21-11-9-19-38(40)39-20-10-12-22-41(39)49)48(35-24-23-30-13-7-8-18-33(30)25-35)42-29-46-44(32-16-5-2-6-17-32)47-43(42)31-14-3-1-4-15-31/h1-29H
InChIKeySWPKNNXALUVEMB-UHFFFAOYSA-N
MW693.65 g/mol
LogP12.29
Rot. Bonds6

About N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine

N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine (PubChem CID 144888468) has the molecular formula C44H29BrN4 and a molecular weight of 693.65 g/mol. Its IUPAC name is N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine
PubChem CID144888468
Molecular FormulaC44H29BrN4
Molecular Weight693.65 g/mol
Exact Mass692.16
IUPAC NameN-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine
SMILESBrc1cc(N(c2ccc3ccccc3c2)c2cnc(-c3ccccc3)nc2-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H29BrN4/c45-34-26-36(28-37(27-34)49-40-21-11-9-19-38(40)39-20-10-12-22-41(39)49)48(35-24-23-30-13-7-8-18-33(30)25-35)42-29-46-44(32-16-5-2-6-17-32)47-43(42)31-14-3-1-4-15-31/h1-29H
InChIKeySWPKNNXALUVEMB-UHFFFAOYSA-N
XLogP12.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.65
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 144888442
N-(3-bromo-5-carbazol-9-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 144888566
N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 144888357
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-dinaphthalen-2-yl-9-phenylcarbazol-4-amine
CID 162775213
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
9-[3-carbazol-9-yl-5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;5-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine
CID 160870550
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine
CID 176588568
5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
CID 160726392
3-carbazol-9-yl-9-[9-(2,4,6-triphenylpyrimidin-5-yl)carbazol-3-yl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole;3-N,3-N,6-N,6-N-tetraphenyl-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 158992697

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine?
The IUPAC name of N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine (CID 144888468) is N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine.
What is the SMILES notation for N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine?
The canonical SMILES for N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine is Brc1cc(N(c2ccc3ccccc3c2)c2cnc(-c3ccccc3)nc2-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine?
The InChIKey is SWPKNNXALUVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29BrN4/c45-34-26-36(28-37(27-34)49-40-21-11-9-19-38(40)39-20-10-12-22-41(39)49)48(35-24-23-30-13-7-8-18-33(30)25-35)42-29-46-44(32-16-5-2-6-17-32)47-43(42)31-14-3-1-4-15-31/h1-29H.
What are the key properties of N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine?
N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine has a molecular weight of 693.65 g/mol, XLogP of 12.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-2-yl-2,4-diphenylpyrimidin-5-amine is sourced from PubChem (CID 144888468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).