N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine

C50H34N2O2 — CID 167128961

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3cc5oc(-c6ccccc6)nc5cc34)ccc21
InChIInChI=1S/C50H34N2O2/c1-50(2)43-15-9-8-14-39(43)41-27-37(23-25-44(41)50)52(36-20-18-32(19-21-36)35-17-16-31-10-6-7-13-34(31)26-35)38-22-24-40-42-29-45-48(30-47(42)53-46(40)28-38)54-49(51-45)33-11-4-3-5-12-33/h3-30H,1-2H3
InChIKeySHQFQNQNXAMPDY-UHFFFAOYSA-N
MW694.83 g/mol
LogP13.99
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine

N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine (PubChem CID 167128961) has the molecular formula C50H34N2O2 and a molecular weight of 694.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
PubChem CID167128961
Molecular FormulaC50H34N2O2
Molecular Weight694.83 g/mol
Exact Mass694.26
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3cc5oc(-c6ccccc6)nc5cc34)ccc21
InChIInChI=1S/C50H34N2O2/c1-50(2)43-15-9-8-14-39(43)41-27-37(23-25-44(41)50)52(36-20-18-32(19-21-36)35-17-16-31-10-6-7-13-34(31)26-35)38-22-24-40-42-29-45-48(30-47(42)53-46(40)28-38)54-49(51-45)33-11-4-3-5-12-33/h3-30H,1-2H3
InChIKeySHQFQNQNXAMPDY-UHFFFAOYSA-N
XLogP13.99
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
CID 172504267
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 170776738
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 170776627
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-3-amine
CID 167129878
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]fluoren-4-amine
CID 167129875
N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128802
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
CID 167129831
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127727
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
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128856
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167130080

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
The IUPAC name of 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) is N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3cc5oc(-c6ccccc6)nc5cc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
The InChIKey is SHQFQNQNXAMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O2/c1-50(2)43-15-9-8-14-39(43)41-27-37(23-25-44(41)50)52(36-20-18-32(19-21-36)35-17-16-31-10-6-7-13-34(31)26-35)38-22-24-40-42-29-45-48(30-47(42)53-46(40)28-38)54-49(51-45)33-11-4-3-5-12-33/h3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine has a molecular weight of 694.83 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-2-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167128961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).