N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine

C46H30N4 — CID 118912220

IUPACN,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4c4nccnc4c3c2)cc1
InChIInChI=1S/C46H30N4/c1-4-12-31(13-5-1)32-20-23-37-38-24-21-36(30-42(38)46-45(41(37)28-32)47-26-27-48-46)50-43-19-11-10-18-39(43)40-29-35(22-25-44(40)50)49(33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-30H
InChIKeyREVBIZKIKYXMBJ-UHFFFAOYSA-N
MW638.77 g/mol
LogP12.17
Rot. Bonds5

About N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine

N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine (PubChem CID 118912220) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine
PubChem CID118912220
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC NameN,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4c4nccnc4c3c2)cc1
InChIInChI=1S/C46H30N4/c1-4-12-31(13-5-1)32-20-23-37-38-24-21-36(30-42(38)46-45(41(37)28-32)47-26-27-48-46)50-43-19-11-10-18-39(43)40-29-35(22-25-44(40)50)49(33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-30H
InChIKeyREVBIZKIKYXMBJ-UHFFFAOYSA-N
XLogP12.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-N,N-diphenylcarbazol-3-amine
CID 90211143
4-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211161
N,N-diphenyl-9-[4-[7-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,10-phenanthrolin-4-yl]phenyl]carbazol-3-amine
CID 135252609
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
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
6-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063849
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine?
The IUPAC name of N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine (CID 118912220) is N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine is c1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4c4nccnc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine?
The InChIKey is REVBIZKIKYXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-12-31(13-5-1)32-20-23-37-38-24-21-36(30-42(38)46-45(41(37)28-32)47-26-27-48-46)50-43-19-11-10-18-39(43)40-29-35(22-25-44(40)50)49(33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-30H.
What are the key properties of N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine?
N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine has a molecular weight of 638.77 g/mol, XLogP of 12.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine is sourced from PubChem (CID 118912220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).