2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine

C90H62F2N2Si — CID 177262763

IUPAC2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine
SMILESC=Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(F)cc4)c4ccc5c(c4)-c4cc(N(c6ccc(F)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccc(C=C)cc6)c6ccccc6-7)ccc4[Si]5(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C90H62F2N2Si/c1-3-61-33-37-65(38-34-61)89(63-21-9-5-10-22-63)83-31-19-17-29-77(83)79-53-49-73(59-85(79)89)93(69-45-41-67(91)42-46-69)71-51-55-87-81(57-71)82-58-72(52-56-88(82)95(87,75-25-13-7-14-26-75)76-27-15-8-16-28-76)94(70-47-43-68(92)44-48-70)74-50-54-80-78-30-18-20-32-84(78)90(86(80)60-74,64-23-11-6-12-24-64)66-39-35-62(4-2)36-40-66/h3-60H,1-2H2
InChIKeyVPDPBJGCVUGDDU-UHFFFAOYSA-N
MW1237.58 g/mol
LogP20.27
Rot. Bonds14

About 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine

2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine (PubChem CID 177262763) has the molecular formula C90H62F2N2Si and a molecular weight of 1237.58 g/mol. Its IUPAC name is 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine
PubChem CID177262763
Molecular FormulaC90H62F2N2Si
Molecular Weight1237.58 g/mol
Exact Mass1236.47
IUPAC Name2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine
SMILESC=Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(F)cc4)c4ccc5c(c4)-c4cc(N(c6ccc(F)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccc(C=C)cc6)c6ccccc6-7)ccc4[Si]5(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C90H62F2N2Si/c1-3-61-33-37-65(38-34-61)89(63-21-9-5-10-22-63)83-31-19-17-29-77(83)79-53-49-73(59-85(79)89)93(69-45-41-67(91)42-46-69)71-51-55-87-81(57-71)82-58-72(52-56-88(82)95(87,75-25-13-7-14-26-75)76-27-15-8-16-28-76)94(70-47-43-68(92)44-48-70)74-50-54-80-78-30-18-20-32-84(78)90(86(80)60-74,64-23-11-6-12-24-64)66-39-35-62(4-2)36-40-66/h3-60H,1-2H2
InChIKeyVPDPBJGCVUGDDU-UHFFFAOYSA-N
XLogP20.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.58
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine
CID 177262640
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
CID 166686283
9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(3-fluorophenyl)fluoren-2-yl]-9-(3-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 170541554
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 172546940
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[4-[9-[4-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]phenyl]-N,9-bis(4-fluorophenyl)fluoren-2-amine
CID 172547006
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[3-[9-[3-(N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]anilino)phenyl]fluoren-9-yl]phenyl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 172547054
9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
CID 163500868
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)-5,5-dimethylbenzo[b][1]benzosilole-3,7-diamine
CID 172547062
9-[4-(4-ethenylphenyl)sulfanylphenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenyl)sulfanylphenyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146516601
N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-5,5-dimethylbenzo[b][1]benzosilol-3-amine
CID 169286364
2-N-(3,4-difluorophenyl)-2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-8-N-(4-fluoro-3-methylphenyl)-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine
CID 177262676
2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 177262645

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?
The IUPAC name of 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine (CID 177262763) is 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine is C=Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(F)cc4)c4ccc5c(c4)-c4cc(N(c6ccc(F)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccc(C=C)cc6)c6ccccc6-7)ccc4[Si]5(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?
The InChIKey is VPDPBJGCVUGDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62F2N2Si/c1-3-61-33-37-65(38-34-61)89(63-21-9-5-10-22-63)83-31-19-17-29-77(83)79-53-49-73(59-85(79)89)93(69-45-41-67(91)42-46-69)71-51-55-87-81(57-71)82-58-72(52-56-88(82)95(87,75-25-13-7-14-26-75)76-27-15-8-16-28-76)94(70-47-43-68(92)44-48-70)74-50-54-80-78-30-18-20-32-84(78)90(86(80)60-74,64-23-11-6-12-24-64)66-39-35-62(4-2)36-40-66/h3-60H,1-2H2.
What are the key properties of 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine?
2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine has a molecular weight of 1237.58 g/mol, XLogP of 20.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)-5,5-diphenylbenzo[b][1]benzosilole-2,8-diamine is sourced from PubChem (CID 177262763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).