9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole

C150H89N3O3 — CID 163997775

IUPAC9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6c-7ccc7ccccc67)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6c-7ccc7ccccc67)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc8ccccc8cc6-7)ccc5c4c3o2)cc1
InChIInChI=1S/2C50H29NO.C50H31NO/c1-2-11-32(12-3-1)49-51-45-27-23-31-18-19-35-28-33(21-24-36(35)46(31)48(45)52-49)34-22-25-40-41-26-20-30-10-4-5-13-37(30)47(41)50(44(40)29-34)42-16-8-6-14-38(42)39-15-7-9-17-43(39)50;1-2-10-31(11-3-1)49-51-46-25-22-30-18-19-36-26-34(20-23-37(36)47(30)48(46)52-49)35-21-24-40-41-27-32-12-4-5-13-33(32)28-45(41)50(44(40)29-35)42-16-8-6-14-38(42)39-15-7-9-17-43(39)50;1-4-13-34(14-5-1)49-51-45-29-25-33-20-21-37-30-35(23-26-40(37)46(33)48(45)52-49)36-24-27-42-43-28-22-32-12-10-11-19-41(32)47(43)50(44(42)31-36,38-15-6-2-7-16-38)39-17-8-3-9-18-39/h2*1-29H;1-31H
InChIKeyUGFLNIXJYIEEIH-UHFFFAOYSA-N
MW1981.38 g/mol
LogP38.91
Rot. Bonds8

About 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole

9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 163997775) has the molecular formula C150H89N3O3 and a molecular weight of 1981.38 g/mol. Its IUPAC name is 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID163997775
Molecular FormulaC150H89N3O3
Molecular Weight1981.38 g/mol
Exact Mass1979.69
IUPAC Name9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6c-7ccc7ccccc67)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6c-7ccc7ccccc67)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc8ccccc8cc6-7)ccc5c4c3o2)cc1
InChIInChI=1S/2C50H29NO.C50H31NO/c1-2-11-32(12-3-1)49-51-45-27-23-31-18-19-35-28-33(21-24-36(35)46(31)48(45)52-49)34-22-25-40-41-26-20-30-10-4-5-13-37(30)47(41)50(44(40)29-34)42-16-8-6-14-38(42)39-15-7-9-17-43(39)50;1-2-10-31(11-3-1)49-51-46-25-22-30-18-19-36-26-34(20-23-37(36)47(30)48(46)52-49)35-21-24-40-41-27-32-12-4-5-13-33(32)28-45(41)50(44(40)29-35)42-16-8-6-14-38(42)39-15-7-9-17-43(39)50;1-4-13-34(14-5-1)49-51-45-29-25-33-20-21-37-30-35(23-26-40(37)46(33)48(45)52-49)36-24-27-42-43-28-22-32-12-10-11-19-41(32)47(43)50(44(42)31-36,38-15-6-2-7-16-38)39-17-8-3-9-18-39/h2*1-29H;1-31H
InChIKeyUGFLNIXJYIEEIH-UHFFFAOYSA-N
XLogP38.91
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001981.38
LogP ≤ 538.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole with MolForge

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Related Compounds

10-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 159418356
10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 147893575
2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803969
2,4-diphenyl-6-[4-[17'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]phenyl]pyrimidine
CID 137492982
2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 165046135
N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158673888
17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962092
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,3,5-triazine
CID 137494788
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803928
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446

Frequently Asked Questions

What is the IUPAC name of 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole (CID 163997775) is 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6c-7ccc7ccccc67)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6c-7ccc7ccccc67)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc8ccccc8cc6-7)ccc5c4c3o2)cc1.
What is the InChIKey of 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is UGFLNIXJYIEEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H29NO.C50H31NO/c1-2-11-32(12-3-1)49-51-45-27-23-31-18-19-35-28-33(21-24-36(35)46(31)48(45)52-49)34-22-25-40-41-26-20-30-10-4-5-13-37(30)47(41)50(44(40)29-34)42-16-8-6-14-38(42)39-15-7-9-17-43(39)50;1-2-10-31(11-3-1)49-51-46-25-22-30-18-19-36-26-34(20-23-37(36)47(30)48(46)52-49)35-21-24-40-41-27-32-12-4-5-13-33(32)28-45(41)50(44(40)29-35)42-16-8-6-14-38(42)39-15-7-9-17-43(39)50;1-4-13-34(14-5-1)49-51-45-29-25-33-20-21-37-30-35(23-26-40(37)46(33)48(45)52-49)36-24-27-42-43-28-22-32-12-10-11-19-41(32)47(43)50(44(42)31-36,38-15-6-2-7-16-38)39-17-8-3-9-18-39/h2*1-29H;1-31H.
What are the key properties of 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole?
9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 1981.38 g/mol, XLogP of 38.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 163997775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).