9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine

C44H32N2O — CID 172504267

IUPAC9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2-c2cc3oc(-c4ccccc4)nc3cc21
InChIInChI=1S/C44H32N2O/c1-44(2)39-24-23-36(26-37(39)38-27-42-41(28-40(38)44)45-43(47-42)32-14-7-4-8-15-32)46(35-22-19-30-13-9-10-16-33(30)25-35)34-20-17-31(18-21-34)29-11-5-3-6-12-29/h3-28H,1-2H3
InChIKeyHSOMMVPULOFAKT-UHFFFAOYSA-N
MW604.75 g/mol
LogP12.09
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine

9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine (PubChem CID 172504267) has the molecular formula C44H32N2O and a molecular weight of 604.75 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
PubChem CID172504267
Molecular FormulaC44H32N2O
Molecular Weight604.75 g/mol
Exact Mass604.25
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2-c2cc3oc(-c4ccccc4)nc3cc21
InChIInChI=1S/C44H32N2O/c1-44(2)39-24-23-36(26-37(39)38-27-42-41(28-40(38)44)45-43(47-42)32-14-7-4-8-15-32)46(35-22-19-30-13-9-10-16-33(30)25-35)34-20-17-31(18-21-34)29-11-5-3-6-12-29/h3-28H,1-2H3
InChIKeyHSOMMVPULOFAKT-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine with MolForge

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Related Compounds

15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine
CID 172504380
3-N-(9,9-dimethyl-2-phenylindeno[1,2-f][1,3]benzoxazol-6-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 172504447
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128961
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 167128874
N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine
CID 172504439
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]fluoren-3-amine
CID 176785921
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
N-(9,9-dimethylfluoren-3-yl)-5-phenyl-N-(6-phenylnaphthalen-2-yl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631711
9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 165067412
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine (CID 172504267) is 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2-c2cc3oc(-c4ccccc4)nc3cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine?
The InChIKey is HSOMMVPULOFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O/c1-44(2)39-24-23-36(26-37(39)38-27-42-41(28-40(38)44)45-43(47-42)32-14-7-4-8-15-32)46(35-22-19-30-13-9-10-16-33(30)25-35)34-20-17-31(18-21-34)29-11-5-3-6-12-29/h3-28H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine?
9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine has a molecular weight of 604.75 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 172504267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).