1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine

C84H64N2 — CID 58233584

IUPAC1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCC(C)c1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3ccc4c(N(c5cccc(C(C)C)c5)c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C84H64N2/c1-55(2)59-23-19-31-65(51-59)85(67-33-21-29-63(53-67)83(61-25-7-5-8-26-61)75-39-15-11-35-69(75)70-36-12-16-40-76(70)83)79-49-45-57-44-48-74-80(50-46-58-43-47-73(79)81(57)82(58)74)86(66-32-20-24-60(52-66)56(3)4)68-34-22-30-64(54-68)84(62-27-9-6-10-28-62)77-41-17-13-37-71(77)72-38-14-18-42-78(72)84/h5-56H,1-4H3
InChIKeyYCGZPZADNYEIGG-UHFFFAOYSA-N
MW1101.45 g/mol
LogP22.50
Rot. Bonds12

About 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 58233584) has the molecular formula C84H64N2 and a molecular weight of 1101.45 g/mol. Its IUPAC name is 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
PubChem CID58233584
Molecular FormulaC84H64N2
Molecular Weight1101.45 g/mol
Exact Mass1100.51
IUPAC Name1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
SMILESCC(C)c1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3ccc4c(N(c5cccc(C(C)C)c5)c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C84H64N2/c1-55(2)59-23-19-31-65(51-59)85(67-33-21-29-63(53-67)83(61-25-7-5-8-26-61)75-39-15-11-35-69(75)70-36-12-16-40-76(70)83)79-49-45-57-44-48-74-80(50-46-58-43-47-73(79)81(57)82(58)74)86(66-32-20-24-60(52-66)56(3)4)68-34-22-30-64(54-68)84(62-27-9-6-10-28-62)77-41-17-13-37-71(77)72-38-14-18-42-78(72)84/h5-56H,1-4H3
InChIKeyYCGZPZADNYEIGG-UHFFFAOYSA-N
XLogP22.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.45
LogP ≤ 522.50
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

1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
1-N,6-N-bis(3-methylphenyl)-6-N-[3-[[2-(2-methylphenyl)phenyl]-phenylmethyl]phenyl]-1-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 88958678
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,1-N-bis(3,5-dimethylphenyl)-6-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 126743874
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine
CID 118333123
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline
CID 159772726
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
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
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
1-N-[3-[9a-methyl-9-(2-methylphenyl)-4aH-fluoren-9-yl]phenyl]-6-N-[3-[9-(2-methylphenyl)fluoren-9-yl]phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 163557272

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine (CID 58233584) is 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine is CC(C)c1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3ccc4c(N(c5cccc(C(C)C)c5)c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)ccc5ccc2c3c54)c1.
What is the InChIKey of 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
The InChIKey is YCGZPZADNYEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H64N2/c1-55(2)59-23-19-31-65(51-59)85(67-33-21-29-63(53-67)83(61-25-7-5-8-26-61)75-39-15-11-35-69(75)70-36-12-16-40-76(70)83)79-49-45-57-44-48-74-80(50-46-58-43-47-73(79)81(57)82(58)74)86(66-32-20-24-60(52-66)56(3)4)68-34-22-30-64(54-68)84(62-27-9-6-10-28-62)77-41-17-13-37-71(77)72-38-14-18-42-78(72)84/h5-56H,1-4H3.
What are the key properties of 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine?
1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 1101.45 g/mol, XLogP of 22.50, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 58233584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).