3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine

C90H72N2 — CID 153499360

IUPAC3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(C5CCCCC5)c5ccc2c3c54)cc1
InChIInChI=1S/C90H72N2/c1-7-27-61(28-8-1)79-59-85(91(67-35-15-5-16-36-67)68-37-17-6-18-38-68)77-57-55-76-80(62-29-9-2-10-30-62)60-86(78-58-56-75(79)87(77)88(76)78)92(69-51-47-65(48-52-69)89(63-31-11-3-12-32-63)81-43-23-19-39-71(81)72-40-20-24-44-82(72)89)70-53-49-66(50-54-70)90(64-33-13-4-14-34-64)83-45-25-21-41-73(83)74-42-22-26-46-84(74)90/h3-6,11-26,31-62H,1-2,7-10,27-30H2
InChIKeyQRTKHTLEVJHOKY-UHFFFAOYSA-N
MW1181.58 g/mol
LogP24.35
Rot. Bonds12

About 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine

3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine (PubChem CID 153499360) has the molecular formula C90H72N2 and a molecular weight of 1181.58 g/mol. Its IUPAC name is 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine.

Molecular Properties

Compound Name3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
PubChem CID153499360
Molecular FormulaC90H72N2
Molecular Weight1181.58 g/mol
Exact Mass1180.57
IUPAC Name3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(C5CCCCC5)c5ccc2c3c54)cc1
InChIInChI=1S/C90H72N2/c1-7-27-61(28-8-1)79-59-85(91(67-35-15-5-16-36-67)68-37-17-6-18-38-68)77-57-55-76-80(62-29-9-2-10-30-62)60-86(78-58-56-75(79)87(77)88(76)78)92(69-51-47-65(48-52-69)89(63-31-11-3-12-32-63)81-43-23-19-39-71(81)72-40-20-24-44-82(72)89)70-53-49-66(50-54-70)90(64-33-13-4-14-34-64)83-45-25-21-41-73(83)74-42-22-26-46-84(74)90/h3-6,11-26,31-62H,1-2,7-10,27-30H2
InChIKeyQRTKHTLEVJHOKY-UHFFFAOYSA-N
XLogP24.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.58
LogP ≤ 524.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-dicyclohexyl-1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 159411496
3,8-dicyclohexyl-1-N,1-N-diphenylpyrene-1,6-diamine
CID 155109066
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
3,8-dicyclohexyl-1-N,6-N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 141369752
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304684
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
CID 58233592
1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 58233575
1-N,6-N-bis[2,6-dimethyl-4-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 118333129
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410

Frequently Asked Questions

What is the IUPAC name of 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine?
The IUPAC name of 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine (CID 153499360) is 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine.
What is the SMILES notation for 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine?
The canonical SMILES for 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine is c1ccc(N(c2ccccc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(C5CCCCC5)c5ccc2c3c54)cc1.
What is the InChIKey of 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine?
The InChIKey is QRTKHTLEVJHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H72N2/c1-7-27-61(28-8-1)79-59-85(91(67-35-15-5-16-36-67)68-37-17-6-18-38-68)77-57-55-76-80(62-29-9-2-10-30-62)60-86(78-58-56-75(79)87(77)88(76)78)92(69-51-47-65(48-52-69)89(63-31-11-3-12-32-63)81-43-23-19-39-71(81)72-40-20-24-44-82(72)89)70-53-49-66(50-54-70)90(64-33-13-4-14-34-64)83-45-25-21-41-73(83)74-42-22-26-46-84(74)90/h3-6,11-26,31-62H,1-2,7-10,27-30H2.
What are the key properties of 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine?
3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine has a molecular weight of 1181.58 g/mol, XLogP of 24.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dicyclohexyl-6-N,6-N-diphenyl-1-N,1-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 153499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).