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

C65H48N2 — CID 140895854

IUPAC2-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
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)CC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CC6)cc4)ccc2-3)cc1
InChIInChI=1S/C65H48N2/c1-5-13-53(14-6-1)65(54-15-7-2-8-16-54)63-43-59(66(55-17-9-3-10-18-55)57-33-29-47(30-34-57)51-27-23-45-21-25-49(45)41-51)37-39-61(63)62-40-38-60(44-64(62)65)67(56-19-11-4-12-20-56)58-35-31-48(32-36-58)52-28-24-46-22-26-50(46)42-52/h1-20,23-24,27-44H,21-22,25-26H2
InChIKeyKNGAHMGNSQTILV-UHFFFAOYSA-N
MW857.11 g/mol
LogP16.52
Rot. Bonds10

About 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

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 (PubChem CID 140895854) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID140895854
Molecular FormulaC65H48N2
Molecular Weight857.11 g/mol
Exact Mass856.38
IUPAC Name2-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
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)CC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CC6)cc4)ccc2-3)cc1
InChIInChI=1S/C65H48N2/c1-5-13-53(14-6-1)65(54-15-7-2-8-16-54)63-43-59(66(55-17-9-3-10-18-55)57-33-29-47(30-34-57)51-27-23-45-21-25-49(45)41-51)37-39-61(63)62-40-38-60(44-64(62)65)67(56-19-11-4-12-20-56)58-35-31-48(32-36-58)52-28-24-46-22-26-50(46)42-52/h1-20,23-24,27-44H,21-22,25-26H2
InChIKeyKNGAHMGNSQTILV-UHFFFAOYSA-N
XLogP16.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.11
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-7,9-diphenylfluoren-2-yl]anilino)phenyl]phenyl]-N,7,9-triphenylfluoren-2-amine
CID 146516771
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 170152963
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,3-diamine
CID 170152967
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylsulfanyl)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-tert-butylphenyl)-N-phenylfluoren-2-amine
CID 146516728
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-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 146516566
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-c3ccc4c(c3)CC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)CC6)cc4)ccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is KNGAHMGNSQTILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-5-13-53(14-6-1)65(54-15-7-2-8-16-54)63-43-59(66(55-17-9-3-10-18-55)57-33-29-47(30-34-57)51-27-23-45-21-25-49(45)41-51)37-39-61(63)62-40-38-60(44-64(62)65)67(56-19-11-4-12-20-56)58-35-31-48(32-36-58)52-28-24-46-22-26-50(46)42-52/h1-20,23-24,27-44H,21-22,25-26H2.
What are the key properties of 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?
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 has a molecular weight of 857.11 g/mol, XLogP of 16.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140895854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).