N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine

C41H29N3O — CID 170025363

IUPACN,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine
SMILESC1=CC2CC=c3nc(-c4ccccc4)oc3=C2C=C1N(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C41H29N3O/c1-4-12-29(13-5-1)41-42-37-24-21-28-20-22-32(26-35(28)40(37)45-41)43(30-14-6-2-7-15-30)33-23-25-39-36(27-33)34-18-10-11-19-38(34)44(39)31-16-8-3-9-17-31/h1-20,22-28H,21H2
InChIKeyKFXUMEFYDUBNSE-UHFFFAOYSA-N
MW579.70 g/mol
LogP8.68
Rot. Bonds5

About N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine

N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine (PubChem CID 170025363) has the molecular formula C41H29N3O and a molecular weight of 579.70 g/mol. Its IUPAC name is N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine
PubChem CID170025363
Molecular FormulaC41H29N3O
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC NameN,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine
SMILESC1=CC2CC=c3nc(-c4ccccc4)oc3=C2C=C1N(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C41H29N3O/c1-4-12-29(13-5-1)41-42-37-24-21-28-20-22-32(26-35(28)40(37)45-41)43(30-14-6-2-7-15-30)33-23-25-39-36(27-33)34-18-10-11-19-38(34)44(39)31-16-8-3-9-17-31/h1-20,22-28H,21H2
InChIKeyKFXUMEFYDUBNSE-UHFFFAOYSA-N
XLogP8.68
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine with MolForge

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Related Compounds

9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 126585578
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[4-[4-[2-phenyl-2-(9-phenylcarbazol-3-yl)ethyl]cyclohexa-2,4-dien-1-yl]phenyl]carbazol-3-amine
CID 123492493
4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
CID 59489386
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
The IUPAC name of N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine (CID 170025363) is N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
The canonical SMILES for N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine is C1=CC2CC=c3nc(-c4ccccc4)oc3=C2C=C1N(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
The InChIKey is KFXUMEFYDUBNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O/c1-4-12-29(13-5-1)41-42-37-24-21-28-20-22-32(26-35(28)40(37)45-41)43(30-14-6-2-7-15-30)33-23-25-39-36(27-33)34-18-10-11-19-38(34)44(39)31-16-8-3-9-17-31/h1-20,22-28H,21H2.
What are the key properties of N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine has a molecular weight of 579.70 g/mol, XLogP of 8.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(9-phenylcarbazol-3-yl)-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 170025363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).