N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine

C189H132N8OS3 — CID 158205432

About N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine (PubChem CID 158205432) has the molecular formula C189H132N8OS3 and a molecular weight of 2627.39 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine.

Molecular Properties

• Compound Name: N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine
• PubChem CID: 158205432
• Molecular Formula: C189H132N8OS3
• Molecular Weight: 2627.39 g/mol
• Exact Mass: 2624.97
• IUPAC Name: N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)cc2)cc1
• InChI: InChI=1S/C51H38N2S.C48H34N2S.C45H30N2O.C45H30N2S/c1-50(2)42-16-10-8-14-38(42)40-25-22-35(29-44(40)50)53(36-23-26-41-39-15-9-11-17-43(39)51(3,4)45(41)30-36)34-21-24-37-33(28-34)19-18-31-20-27-46-48(47(31)37)52-49(54-46)32-12-6-5-7-13-32;1-48(2)42-16-10-9-15-40(42)41-27-25-38(30-43(41)48)50(36-22-19-32(20-23-36)31-11-5-3-6-12-31)37-24-26-39-35(29-37)18-17-33-21-28-44-46(45(33)39)49-47(51-44)34-13-7-4-8-14-34;1-4-10-31(11-5-1)32-20-25-39(26-21-32)47(38-14-8-3-9-15-38)40-27-22-33(23-28-40)37-19-17-34-16-18-35-24-29-42-44(43(35)41(34)30-37)48-45(46-42)36-12-6-2-7-13-36;1-4-10-31(11-5-1)33-18-23-38(24-19-33)47(39-25-20-34(21-26-39)32-12-6-2-7-13-32)40-27-28-41-37(30-40)17-16-35-22-29-42-44(43(35)41)46-45(48-42)36-14-8-3-9-15-36/h5-30H,1-4H3;3-30H,1-2H3;2*1-30H
• InChIKey: GBLCFTKYBZEMLT-UHFFFAOYSA-N
• XLogP: 53.74
• TPSA: 77.66 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2627.39
LogP ≤ 5	53.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine?

The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine (CID 158205432) is N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine.

What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine?

The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6sc(-c7ccccc7)nc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)cc2)cc1.

What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine?

The InChIKey is GBLCFTKYBZEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2S.C48H34N2S.C45H30N2O.C45H30N2S/c1-50(2)42-16-10-8-14-38(42)40-25-22-35(29-44(40)50)53(36-23-26-41-39-15-9-11-17-43(39)51(3,4)45(41)30-36)34-21-24-37-33(28-34)19-18-31-20-27-46-48(47(31)37)52-49(54-46)32-12-6-5-7-13-32;1-48(2)42-16-10-9-15-40(42)41-27-25-38(30-43(41)48)50(36-22-19-32(20-23-36)31-11-5-3-6-12-31)37-24-26-39-35(29-37)18-17-33-21-28-44-46(45(33)39)49-47(51-44)34-13-7-4-8-14-34;1-4-10-31(11-5-1)32-20-25-39(26-21-32)47(38-14-8-3-9-15-38)40-27-22-33(23-28-40)37-19-17-34-16-18-35-24-29-42-44(43(35)41(34)30-37)48-45(46-42)36-12-6-2-7-13-36;1-4-10-31(11-5-1)33-18-23-38(24-19-33)47(39-25-20-34(21-26-39)32-12-6-2-7-13-32)40-27-28-41-37(30-40)17-16-35-22-29-42-44(43(35)41)46-45(48-42)36-14-8-3-9-15-36/h5-30H,1-4H3;3-30H,1-2H3;2*1-30H.

What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine?

N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine has a molecular weight of 2627.39 g/mol, XLogP of 53.74, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(9,9-dimethylfluoren-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine;N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-amine is sourced from PubChem (CID 158205432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).