3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine

C59H50Cl2N2O2 — CID 23561725

IUPAC3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESCOc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c(cc2Cl)-c2cc(Cl)c(N(c4cccc(OC)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc2C3(C)C)c1
InChIInChI=1S/C59H50Cl2N2O2/c1-57(2)47-21-11-9-19-41(47)43-25-23-37(29-49(43)57)62(35-15-13-17-39(27-35)64-7)55-33-51-45(31-53(55)60)46-32-54(61)56(34-52(46)59(51,5)6)63(36-16-14-18-40(28-36)65-8)38-24-26-44-42-20-10-12-22-48(42)58(3,4)50(44)30-38/h9-34H,1-8H3
InChIKeyQLZBCDUMYHTBDX-UHFFFAOYSA-N
MW889.97 g/mol
LogP16.87
Rot. Bonds8

About 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine

3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine (PubChem CID 23561725) has the molecular formula C59H50Cl2N2O2 and a molecular weight of 889.97 g/mol. Its IUPAC name is 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine
PubChem CID23561725
Molecular FormulaC59H50Cl2N2O2
Molecular Weight889.97 g/mol
Exact Mass888.32
IUPAC Name3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESCOc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c(cc2Cl)-c2cc(Cl)c(N(c4cccc(OC)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc2C3(C)C)c1
InChIInChI=1S/C59H50Cl2N2O2/c1-57(2)47-21-11-9-19-41(47)43-25-23-37(29-49(43)57)62(35-15-13-17-39(27-35)64-7)55-33-51-45(31-53(55)60)46-32-54(61)56(34-52(46)59(51,5)6)63(36-16-14-18-40(28-36)65-8)38-24-26-44-42-20-10-12-22-48(42)58(3,4)50(44)30-38/h9-34H,1-8H3
InChIKeyQLZBCDUMYHTBDX-UHFFFAOYSA-N
XLogP16.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.97
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine with MolForge

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Related Compounds

2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 123541710
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-(3-chloro-9,9-dimethylfluoren-2-yl)-N,N-diphenylnaphthalen-1-amine
CID 177083937
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine (CID 23561725) is 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine is COc1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c(cc2Cl)-c2cc(Cl)c(N(c4cccc(OC)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc2C3(C)C)c1.
What is the InChIKey of 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is QLZBCDUMYHTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50Cl2N2O2/c1-57(2)47-21-11-9-19-41(47)43-25-23-37(29-49(43)57)62(35-15-13-17-39(27-35)64-7)55-33-51-45(31-53(55)60)46-32-54(61)56(34-52(46)59(51,5)6)63(36-16-14-18-40(28-36)65-8)38-24-26-44-42-20-10-12-22-48(42)58(3,4)50(44)30-38/h9-34H,1-8H3.
What are the key properties of 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine?
3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 889.97 g/mol, XLogP of 16.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-2-N,7-N-bis(3-methoxyphenyl)-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 23561725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).