10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

C40H27NO — CID 146329929

IUPAC10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc3ccc4ccc5nc(-c6ccccc6)oc5c4c3c1)c1ccccc21
InChIInChI=1S/C40H27NO/c1-40(2)33-15-9-8-14-30(33)37-29-13-7-6-12-28(29)31(23-34(37)40)27-19-17-24-16-18-25-20-21-35-38(36(25)32(24)22-27)42-39(41-35)26-10-4-3-5-11-26/h3-23H,1-2H3
InChIKeyQWKSZVRLPNTWMK-UHFFFAOYSA-N
MW537.66 g/mol
LogP10.93
Rot. Bonds2

About 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 146329929) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID146329929
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC Name10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc3ccc4ccc5nc(-c6ccccc6)oc5c4c3c1)c1ccccc21
InChIInChI=1S/C40H27NO/c1-40(2)33-15-9-8-14-30(33)37-29-13-7-6-12-28(29)31(23-34(37)40)27-19-17-24-16-18-25-20-21-35-38(36(25)32(24)22-27)42-39(41-35)26-10-4-3-5-11-26/h3-23H,1-2H3
InChIKeyQWKSZVRLPNTWMK-UHFFFAOYSA-N
XLogP10.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 147893575
10-benzo[c]phenanthren-5-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-chrysen-6-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-(11,11-dimethylbenzo[b]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 165095256
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
18-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-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-decaene
CID 176631370
2-phenyl-10-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 170259838
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743046
N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(4-phenylphenyl)-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 176631495
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
18-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086329
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 146330210

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (CID 146329929) is 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is CC1(C)c2ccccc2-c2c1cc(-c1ccc3ccc4ccc5nc(-c6ccccc6)oc5c4c3c1)c1ccccc21.
What is the InChIKey of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is QWKSZVRLPNTWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-40(2)33-15-9-8-14-30(33)37-29-13-7-6-12-28(29)31(23-34(37)40)27-19-17-24-16-18-25-20-21-35-38(36(25)32(24)22-27)42-39(41-35)26-10-4-3-5-11-26/h3-23H,1-2H3.
What are the key properties of 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 537.66 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 146329929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).