9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine

C57H48N2 — CID 70848334

IUPAC9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc4c(c2)CC4)(c2ccc4c(c2)CC4)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C57H48N2/c1-37-5-21-47(22-6-37)58(48-23-7-38(2)8-24-48)51-29-31-53-54-32-30-52(59(49-25-9-39(3)10-26-49)50-27-11-40(4)12-28-50)36-56(54)57(55(53)35-51,45-19-17-41-13-15-43(41)33-45)46-20-18-42-14-16-44(42)34-46/h5-12,17-36H,13-16H2,1-4H3
InChIKeyORAUYURNKHWYRO-UHFFFAOYSA-N
MW761.02 g/mol
LogP14.42
Rot. Bonds8

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine (PubChem CID 70848334) has the molecular formula C57H48N2 and a molecular weight of 761.02 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
PubChem CID70848334
Molecular FormulaC57H48N2
Molecular Weight761.02 g/mol
Exact Mass760.38
IUPAC Name9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc4c(c2)CC4)(c2ccc4c(c2)CC4)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C57H48N2/c1-37-5-21-47(22-6-37)58(48-23-7-38(2)8-24-48)51-29-31-53-54-32-30-52(59(49-25-9-39(3)10-26-49)50-27-11-40(4)12-28-50)36-56(54)57(55(53)35-51,45-19-17-41-13-15-43(41)33-45)46-20-18-42-14-16-44(42)34-46/h5-12,17-36H,13-16H2,1-4H3
InChIKeyORAUYURNKHWYRO-UHFFFAOYSA-N
XLogP14.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.02
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine with MolForge

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Related Compounds

4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-N-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-(4-methyl-N-(4-methylphenyl)anilino)anilino]phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 144971641
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 158470830
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159912719
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-ditert-butyl-N,N-bis(4-methylphenyl)fluoren-4-amine
CID 146208274
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
2-N,7-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 140895854
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine
CID 167019644
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,7-N-bis(4-hexyl-2,6-dimethylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine
CID 118048522

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine (CID 70848334) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine.
What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc4c(c2)CC4)(c2ccc4c(c2)CC4)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.
What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
The InChIKey is ORAUYURNKHWYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-37-5-21-47(22-6-37)58(48-23-7-38(2)8-24-48)51-29-31-53-54-32-30-52(59(49-25-9-39(3)10-26-49)50-27-11-40(4)12-28-50)36-56(54)57(55(53)35-51,45-19-17-41-13-15-43(41)33-45)46-20-18-42-14-16-44(42)34-46/h5-12,17-36H,13-16H2,1-4H3.
What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine has a molecular weight of 761.02 g/mol, XLogP of 14.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 70848334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).