N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine

C165H114N8O2S2 — CID 161071511

IUPACN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc2)cc1
InChIInChI=1S/C44H32N2O.C41H28N2O.C41H28N2S.C39H26N2S/c1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-21-17-30(18-22-33)29-11-5-3-6-12-29)34-23-19-31-20-26-41-42(38(31)27-34)47-43(45-41)32-13-7-4-8-14-32;1-4-10-29(11-5-1)31-16-22-35(23-17-31)43(36-24-18-32(19-25-36)30-12-6-2-7-13-30)37-26-20-33-21-27-39-40(38(33)28-37)44-41(42-39)34-14-8-3-9-15-34;1-4-10-29(11-5-1)31-16-22-35(23-17-31)43(36-24-18-32(19-25-36)30-12-6-2-7-13-30)37-26-20-33-21-27-39-40(38(33)28-37)42-41(44-39)34-14-8-3-9-15-34;1-3-9-27(10-4-1)29-15-20-33(21-16-29)41(34-22-17-28-11-7-8-14-32(28)25-34)35-23-18-30-19-24-37-38(36(30)26-35)40-39(42-37)31-12-5-2-6-13-31/h3-28H,1-2H3;2*1-28H;1-26H
InChIKeyUESLWEQNOKASFL-UHFFFAOYSA-N
MW2304.91 g/mol
LogP46.87
Rot. Bonds22

About N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine (PubChem CID 161071511) has the molecular formula C165H114N8O2S2 and a molecular weight of 2304.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
PubChem CID161071511
Molecular FormulaC165H114N8O2S2
Molecular Weight2304.91 g/mol
Exact Mass2302.85
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc2)cc1
InChIInChI=1S/C44H32N2O.C41H28N2O.C41H28N2S.C39H26N2S/c1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-21-17-30(18-22-33)29-11-5-3-6-12-29)34-23-19-31-20-26-41-42(38(31)27-34)47-43(45-41)32-13-7-4-8-14-32;1-4-10-29(11-5-1)31-16-22-35(23-17-31)43(36-24-18-32(19-25-36)30-12-6-2-7-13-30)37-26-20-33-21-27-39-40(38(33)28-37)44-41(42-39)34-14-8-3-9-15-34;1-4-10-29(11-5-1)31-16-22-35(23-17-31)43(36-24-18-32(19-25-36)30-12-6-2-7-13-30)37-26-20-33-21-27-39-40(38(33)28-37)42-41(44-39)34-14-8-3-9-15-34;1-3-9-27(10-4-1)29-15-20-33(21-16-29)41(34-22-17-28-11-7-8-14-32(28)25-34)35-23-18-30-19-24-37-38(36(30)26-35)40-39(42-37)31-12-5-2-6-13-31/h3-28H,1-2H3;2*1-28H;1-26H
InChIKeyUESLWEQNOKASFL-UHFFFAOYSA-N
XLogP46.87
TPSA90.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.91
LogP ≤ 546.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 165067412
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine
CID 155473988
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
CID 153156571
9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]fluoren-2-amine;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]aniline;N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 159228976
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743046
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168743074
9,9-dimethyl-N-[4-(2-naphthalen-2-ylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]-N-phenylfluoren-2-amine
CID 171607645
9,9-dimethyl-N-phenyl-N-[4-(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-decaen-17-yl)naphthalen-2-yl]fluoren-2-amine
CID 176631389
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-(9,9-dimethylfluoren-2-yl)-N,4-diphenyl-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7,9,11,14(19),15,17,20-decaen-16-amine
CID 170122337
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(9,9-dimethylfluoren-2-yl)-N,4-diphenyl-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16(21),17,19-decaen-19-amine
CID 170122300

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine (CID 161071511) is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5nc(-c6ccccc6)oc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccc5sc(-c6ccccc6)nc5c4c3)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
The InChIKey is UESLWEQNOKASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2O.C41H28N2O.C41H28N2S.C39H26N2S/c1-44(2)39-16-10-9-15-36(39)37-25-24-35(28-40(37)44)46(33-21-17-30(18-22-33)29-11-5-3-6-12-29)34-23-19-31-20-26-41-42(38(31)27-34)47-43(45-41)32-13-7-4-8-14-32;1-4-10-29(11-5-1)31-16-22-35(23-17-31)43(36-24-18-32(19-25-36)30-12-6-2-7-13-30)37-26-20-33-21-27-39-40(38(33)28-37)44-41(42-39)34-14-8-3-9-15-34;1-4-10-29(11-5-1)31-16-22-35(23-17-31)43(36-24-18-32(19-25-36)30-12-6-2-7-13-30)37-26-20-33-21-27-39-40(38(33)28-37)42-41(44-39)34-14-8-3-9-15-34;1-3-9-27(10-4-1)29-15-20-33(21-16-29)41(34-22-17-28-11-7-8-14-32(28)25-34)35-23-18-30-19-24-37-38(36(30)26-35)40-39(42-37)31-12-5-2-6-13-31/h3-28H,1-2H3;2*1-28H;1-26H.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine?
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine has a molecular weight of 2304.91 g/mol, XLogP of 46.87, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 161071511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).