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

C174H136N4 — CID 159411496

IUPAC3,8-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
SMILESCC(C)c1cc(N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc1c2c34.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(C5CCCCC5)c5ccc2c3c54)cc1
InChIInChI=1S/C90H72N2.C84H64N2/c1-7-27-61(28-8-1)79-59-85(91(67-35-15-5-16-36-67)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)77-58-56-76-80(62-29-9-2-10-30-62)60-86(78-57-55-75(79)87(77)88(76)78)92(68-37-17-6-18-38-68)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;1-55(2)73-53-79(85(61-29-13-7-14-30-61)63-45-41-59(42-46-63)83(57-25-9-5-10-26-57)75-37-21-17-33-65(75)66-34-18-22-38-76(66)83)71-52-50-70-74(56(3)4)54-80(72-51-49-69(73)81(71)82(70)72)86(62-31-15-8-16-32-62)64-47-43-60(44-48-64)84(58-27-11-6-12-28-58)77-39-23-19-35-67(77)68-36-20-24-40-78(68)84/h3-6,11-26,31-62H,1-2,7-10,27-30H2;5-56H,1-4H3
InChIKeyLOQANKXCWZLXQL-UHFFFAOYSA-N
MW2283.03 g/mol
LogP46.84
Rot. Bonds24

About 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

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 (PubChem CID 159411496) has the molecular formula C174H136N4 and a molecular weight of 2283.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,8-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
PubChem CID159411496
Molecular FormulaC174H136N4
Molecular Weight2283.03 g/mol
Exact Mass2281.08
IUPAC Name3,8-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
SMILESCC(C)c1cc(N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc1c2c34.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(C5CCCCC5)c5ccc2c3c54)cc1
InChIInChI=1S/C90H72N2.C84H64N2/c1-7-27-61(28-8-1)79-59-85(91(67-35-15-5-16-36-67)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)77-58-56-76-80(62-29-9-2-10-30-62)60-86(78-57-55-75(79)87(77)88(76)78)92(68-37-17-6-18-38-68)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;1-55(2)73-53-79(85(61-29-13-7-14-30-61)63-45-41-59(42-46-63)83(57-25-9-5-10-26-57)75-37-21-17-33-65(75)66-34-18-22-38-76(66)83)71-52-50-70-74(56(3)4)54-80(72-51-49-69(73)81(71)82(70)72)86(62-31-15-8-16-32-62)64-47-43-60(44-48-64)84(58-27-11-6-12-28-58)77-39-23-19-35-67(77)68-36-20-24-40-78(68)84/h3-6,11-26,31-62H,1-2,7-10,27-30H2;5-56H,1-4H3
InChIKeyLOQANKXCWZLXQL-UHFFFAOYSA-N
XLogP46.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002283.03
LogP ≤ 546.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
3,8-dicyclohexyl-1-N,1-N-diphenylpyrene-1,6-diamine
CID 155109066
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;3,8-ditert-butyl-1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 159180255
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304684
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
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
3,8-dicyclohexyl-1-N,6-N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 141369752
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
1-N,6-N-bis(2,6-dimethylphenyl)-3,8-diphenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-6-N-[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 118333146

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc1c2c34.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(C5CCCCC5)c5ccc2c3c54)cc1.
What is the InChIKey of 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?
The InChIKey is LOQANKXCWZLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H72N2.C84H64N2/c1-7-27-61(28-8-1)79-59-85(91(67-35-15-5-16-36-67)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)77-58-56-76-80(62-29-9-2-10-30-62)60-86(78-57-55-75(79)87(77)88(76)78)92(68-37-17-6-18-38-68)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;1-55(2)73-53-79(85(61-29-13-7-14-30-61)63-45-41-59(42-46-63)83(57-25-9-5-10-26-57)75-37-21-17-33-65(75)66-34-18-22-38-76(66)83)71-52-50-70-74(56(3)4)54-80(72-51-49-69(73)81(71)82(70)72)86(62-31-15-8-16-32-62)64-47-43-60(44-48-64)84(58-27-11-6-12-28-58)77-39-23-19-35-67(77)68-36-20-24-40-78(68)84/h3-6,11-26,31-62H,1-2,7-10,27-30H2;5-56H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2283.03 g/mol, XLogP of 46.84, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159411496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).