N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene

C43H33BrN2 — CID 144888481

IUPACN-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene
SMILESBrc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(N(c2ccccc2)c2cccc3ccccc23)c1.C=CC
InChIInChI=1S/C40H27BrN2.C3H6/c41-31-25-30(28-21-23-33(24-22-28)43-39-18-8-6-16-36(39)37-17-7-9-19-40(37)43)26-34(27-31)42(32-13-2-1-3-14-32)38-20-10-12-29-11-4-5-15-35(29)38;1-3-2/h1-27H;3H,1H2,2H3
InChIKeyIRLSINYWEOBRFY-UHFFFAOYSA-N
MW657.66 g/mol
LogP13.03
Rot. Bonds5

About N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene

N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene (PubChem CID 144888481) has the molecular formula C43H33BrN2 and a molecular weight of 657.66 g/mol. Its IUPAC name is N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene
PubChem CID144888481
Molecular FormulaC43H33BrN2
Molecular Weight657.66 g/mol
Exact Mass656.18
IUPAC NameN-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene
SMILESBrc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(N(c2ccccc2)c2cccc3ccccc23)c1.C=CC
InChIInChI=1S/C40H27BrN2.C3H6/c41-31-25-30(28-21-23-33(24-22-28)43-39-18-8-6-16-36(39)37-17-7-9-19-40(37)43)26-34(27-31)42(32-13-2-1-3-14-32)38-20-10-12-29-11-4-5-15-35(29)38;1-3-2/h1-27H;3H,1H2,2H3
InChIKeyIRLSINYWEOBRFY-UHFFFAOYSA-N
XLogP13.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.66
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-carbazol-9-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 144888566
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 129256040
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-(3-bromo-5-carbazol-9-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 144888357

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene?
The IUPAC name of N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene (CID 144888481) is N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene.
What is the SMILES notation for N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene?
The canonical SMILES for N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene is Brc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(N(c2ccccc2)c2cccc3ccccc23)c1.C=CC.
What is the InChIKey of N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene?
The InChIKey is IRLSINYWEOBRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27BrN2.C3H6/c41-31-25-30(28-21-23-33(24-22-28)43-39-18-8-6-16-36(39)37-17-7-9-19-40(37)43)26-34(27-31)42(32-13-2-1-3-14-32)38-20-10-12-29-11-4-5-15-35(29)38;1-3-2/h1-27H;3H,1H2,2H3.
What are the key properties of N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene?
N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene has a molecular weight of 657.66 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;prop-1-ene is sourced from PubChem (CID 144888481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).