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

C153H94N4O4 — CID 165095256

IUPAC10-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
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc2ccc3ccc4nc(-c5ccccc5)oc4c3c2c1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C40H27NO.2C39H23NO.C35H21NO/c1-40(2)32-15-9-8-14-30(32)37-33(40)23-27-12-6-7-13-29(27)35(37)28-19-17-24-16-18-25-20-21-34-38(36(25)31(24)22-28)42-39(41-34)26-10-4-3-5-11-26;1-2-9-27(10-3-1)39-40-35-21-20-26-17-14-25-15-18-28(22-34(25)37(26)38(35)41-39)33-23-29-19-16-24-8-4-5-11-30(24)36(29)32-13-7-6-12-31(32)33;1-2-9-27(10-3-1)39-40-36-21-19-26-16-14-25-15-17-28(22-34(25)37(26)38(36)41-39)33-23-35-29-11-5-4-8-24(29)18-20-32(35)30-12-6-7-13-31(30)33;1-2-8-24(9-3-1)35-36-32-19-18-23-16-14-22-15-17-26(21-31(22)33(23)34(32)37-35)30-20-25-10-4-5-11-27(25)28-12-6-7-13-29(28)30/h3-23H,1-2H3;2*1-23H;1-21H
InChIKeyXJUPXHFFQPYFFU-UHFFFAOYSA-N
MW2052.46 g/mol
LogP42.56
Rot. Bonds8

About 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

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 (PubChem CID 165095256) has the molecular formula C153H94N4O4 and a molecular weight of 2052.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID165095256
Molecular FormulaC153H94N4O4
Molecular Weight2052.46 g/mol
Exact Mass2050.73
IUPAC Name10-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
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc2ccc3ccc4nc(-c5ccccc5)oc4c3c2c1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4c3o2)cc1
InChIInChI=1S/C40H27NO.2C39H23NO.C35H21NO/c1-40(2)32-15-9-8-14-30(32)37-33(40)23-27-12-6-7-13-29(27)35(37)28-19-17-24-16-18-25-20-21-34-38(36(25)31(24)22-28)42-39(41-34)26-10-4-3-5-11-26;1-2-9-27(10-3-1)39-40-35-21-20-26-17-14-25-15-18-28(22-34(25)37(26)38(35)41-39)33-23-29-19-16-24-8-4-5-11-30(24)36(29)32-13-7-6-12-31(32)33;1-2-9-27(10-3-1)39-40-36-21-19-26-16-14-25-15-17-28(22-34(25)37(26)38(36)41-39)33-23-35-29-11-5-4-8-24(29)18-20-32(35)30-12-6-7-13-31(30)33;1-2-8-24(9-3-1)35-36-32-19-18-23-16-14-22-15-17-26(21-31(22)33(23)34(32)37-35)30-20-25-10-4-5-11-27(25)28-12-6-7-13-29(28)30/h3-23H,1-2H3;2*1-23H;1-21H
InChIKeyXJUPXHFFQPYFFU-UHFFFAOYSA-N
XLogP42.56
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002052.46
LogP ≤ 542.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

10-(7,7-dimethylbenzo[c]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 146329929
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 146330210
10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 147893575
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
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
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-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
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
2,5,8,11-tetrakis(11,11-dimethylbenzo[b]fluoren-5-yl)perylene
CID 58435360
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164955263
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc2ccc3ccc4nc(-c5ccccc5)oc4c3c2c1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7c8ccccc8ccc7c7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4c3o2)cc1.
What is the InChIKey of 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?
The InChIKey is XJUPXHFFQPYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO.2C39H23NO.C35H21NO/c1-40(2)32-15-9-8-14-30(32)37-33(40)23-27-12-6-7-13-29(27)35(37)28-19-17-24-16-18-25-20-21-34-38(36(25)31(24)22-28)42-39(41-34)26-10-4-3-5-11-26;1-2-9-27(10-3-1)39-40-35-21-20-26-17-14-25-15-18-28(22-34(25)37(26)38(35)41-39)33-23-29-19-16-24-8-4-5-11-30(24)36(29)32-13-7-6-12-31(32)33;1-2-9-27(10-3-1)39-40-36-21-19-26-16-14-25-15-17-28(22-34(25)37(26)38(36)41-39)33-23-35-29-11-5-4-8-24(29)18-20-32(35)30-12-6-7-13-31(30)33;1-2-8-24(9-3-1)35-36-32-19-18-23-16-14-22-15-17-26(21-31(22)33(23)34(32)37-35)30-20-25-10-4-5-11-27(25)28-12-6-7-13-29(28)30/h3-23H,1-2H3;2*1-23H;1-21H.
What are the key properties of 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?
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 has a molecular weight of 2052.46 g/mol, XLogP of 42.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165095256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).