10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole

C135H82N6O3 — CID 160824894

IUPAC10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccnc9ccccc89)oc7c6c5c4)c3)cc21.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c7ccccc7c6)cc5c4c3o2)nc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8c9ccccc9ccc8c8ccccc78)c6)cc5c4c3o2)nc1
InChIInChI=1S/C46H26N2O.C45H30N2O.C44H26N2O/c1-2-9-32-30(8-1)24-31(26-40(32)35-20-21-38-34-11-4-3-10-33(34)36-12-7-13-37(35)44(36)38)29-18-16-27-15-17-28-19-22-41-45(43(28)39(27)25-29)49-46(48-41)42-14-5-6-23-47-42;1-45(2)38-12-5-3-10-33(38)34-20-18-32(26-39(34)45)30-9-7-8-29(24-30)31-17-15-27-14-16-28-19-21-41-43(42(28)37(27)25-31)48-44(47-41)36-22-23-46-40-13-6-4-11-35(36)40;1-2-11-33-27(8-1)19-21-36-34-12-3-4-13-35(34)37(26-39(33)36)32-10-7-9-30(24-32)31-18-16-28-15-17-29-20-22-40-43(42(29)38(28)25-31)47-44(46-40)41-14-5-6-23-45-41/h1-26H;3-26H,1-2H3;1-26H
InChIKeySGAJCKXZMFNFAV-UHFFFAOYSA-N
MW1836.18 g/mol
LogP36.46
Rot. Bonds9

About 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole

10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 160824894) has the molecular formula C135H82N6O3 and a molecular weight of 1836.18 g/mol. Its IUPAC name is 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID160824894
Molecular FormulaC135H82N6O3
Molecular Weight1836.18 g/mol
Exact Mass1834.64
IUPAC Name10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccnc9ccccc89)oc7c6c5c4)c3)cc21.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c7ccccc7c6)cc5c4c3o2)nc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8c9ccccc9ccc8c8ccccc78)c6)cc5c4c3o2)nc1
InChIInChI=1S/C46H26N2O.C45H30N2O.C44H26N2O/c1-2-9-32-30(8-1)24-31(26-40(32)35-20-21-38-34-11-4-3-10-33(34)36-12-7-13-37(35)44(36)38)29-18-16-27-15-17-28-19-22-41-45(43(28)39(27)25-29)49-46(48-41)42-14-5-6-23-47-42;1-45(2)38-12-5-3-10-33(38)34-20-18-32(26-39(34)45)30-9-7-8-29(24-30)31-17-15-27-14-16-28-19-21-41-43(42(28)37(27)25-31)48-44(47-41)36-22-23-46-40-13-6-4-11-35(36)40;1-2-11-33-27(8-1)19-21-36-34-12-3-4-13-35(34)37(26-39(33)36)32-10-7-9-30(24-32)31-18-16-28-15-17-29-20-22-40-43(42(29)38(28)25-31)47-44(46-40)41-14-5-6-23-45-41/h1-26H;3-26H,1-2H3;1-26H
InChIKeySGAJCKXZMFNFAV-UHFFFAOYSA-N
XLogP36.46
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001836.18
LogP ≤ 536.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole with MolForge

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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-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302163
1-[4-(1,2-dihydroacenaphthylen-5-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)pyrene;1-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrene;1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-2-yl-6-phenanthren-9-ylpyrene;1-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrene;1-(4-naphthalen-1-ylphenyl)-8-[2-(4-phenylphenyl)phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrene
CID 158804979
7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157412657
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-triphenylsilane;[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]-triphenylsilane;[4-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-5-quinolin-4-ylphenyl]phenyl]-triphenylsilane
CID 158196549
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
3-[3-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569543
9-(3-phenanthren-9-ylphenyl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302153
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 160922229
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
CID 58569105

Frequently Asked Questions

What is the IUPAC name of 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole (CID 160824894) is 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc7nc(-c8ccnc9ccccc89)oc7c6c5c4)c3)cc21.c1ccc(-c2nc3ccc4ccc5ccc(-c6cc(-c7ccc8c9c(cccc79)-c7ccccc7-8)c7ccccc7c6)cc5c4c3o2)nc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8c9ccccc9ccc8c8ccccc78)c6)cc5c4c3o2)nc1.
What is the InChIKey of 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is SGAJCKXZMFNFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O.C45H30N2O.C44H26N2O/c1-2-9-32-30(8-1)24-31(26-40(32)35-20-21-38-34-11-4-3-10-33(34)36-12-7-13-37(35)44(36)38)29-18-16-27-15-17-28-19-22-41-45(43(28)39(27)25-29)49-46(48-41)42-14-5-6-23-47-42;1-45(2)38-12-5-3-10-33(38)34-20-18-32(26-39(34)45)30-9-7-8-29(24-30)31-17-15-27-14-16-28-19-21-41-43(42(28)37(27)25-31)48-44(47-41)36-22-23-46-40-13-6-4-11-35(36)40;1-2-11-33-27(8-1)19-21-36-34-12-3-4-13-35(34)37(26-39(33)36)32-10-7-9-30(24-32)31-18-16-28-15-17-29-20-22-40-43(42(29)38(28)25-31)47-44(46-40)41-14-5-6-23-45-41/h1-26H;3-26H,1-2H3;1-26H.
What are the key properties of 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 1836.18 g/mol, XLogP of 36.46, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 160824894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).