6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine

C74H66N2 — CID 147112107

IUPAC6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine
SMILESCc1cccc(N(c2cccc(Cc3cccc(C(C)C)c3)c2)c2ccc3ccc4c(N(C5=CC=CC(C)C5)c5cccc(C6(c7cccc(C(C)C)c7)C7=C(C=CCC7)c7ccccc76)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C74H66N2/c1-48(2)56-21-13-19-52(44-56)43-53-20-14-27-62(45-53)75(60-25-11-17-50(5)41-60)70-39-35-54-34-38-67-71(40-36-55-33-37-66(70)72(54)73(55)67)76(61-26-12-18-51(6)42-61)63-28-16-24-59(47-63)74(58-23-15-22-57(46-58)49(3)4)68-31-9-7-29-64(68)65-30-8-10-32-69(65)74/h7-9,11-31,33-41,44-49,51H,10,32,42-43H2,1-6H3
InChIKeyBMSAOHUJILJIAY-UHFFFAOYSA-N
MW983.36 g/mol
LogP20.27
Rot. Bonds12

About 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine

6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine (PubChem CID 147112107) has the molecular formula C74H66N2 and a molecular weight of 983.36 g/mol. Its IUPAC name is 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine.

Molecular Properties

Compound Name6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine
PubChem CID147112107
Molecular FormulaC74H66N2
Molecular Weight983.36 g/mol
Exact Mass982.52
IUPAC Name6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine
SMILESCc1cccc(N(c2cccc(Cc3cccc(C(C)C)c3)c2)c2ccc3ccc4c(N(C5=CC=CC(C)C5)c5cccc(C6(c7cccc(C(C)C)c7)C7=C(C=CCC7)c7ccccc76)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C74H66N2/c1-48(2)56-21-13-19-52(44-56)43-53-20-14-27-62(45-53)75(60-25-11-17-50(5)41-60)70-39-35-54-34-38-67-71(40-36-55-33-37-66(70)72(54)73(55)67)76(61-26-12-18-51(6)42-61)63-28-16-24-59(47-63)74(58-23-15-22-57(46-58)49(3)4)68-31-9-7-29-64(68)65-30-8-10-32-69(65)74/h7-9,11-31,33-41,44-49,51H,10,32,42-43H2,1-6H3
InChIKeyBMSAOHUJILJIAY-UHFFFAOYSA-N
XLogP20.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.36
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine with MolForge

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Related Compounds

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
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
1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
7-N'-(2,5-dimethylcyclohex-3-en-1-yl)-2-N'-(3-methylphenyl)-2-N',7-N'-diphenylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 175611283
3-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 89375037
N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 156558420
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
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
3,8-di(butan-2-yl)-1-N-(5-methylcyclohexa-1,3-dien-1-yl)-6-N-(3-methylcyclohex-2-en-1-yl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine
CID 143856257
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
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
2-N'-(5-methylcyclohexa-1,5-dien-1-yl)-7-N'-(3-methylphenyl)-2-N',7-N'-diphenyl-9,9'-spirobi[1,2-dihydrofluorene]-2',7'-diamine
CID 130371077

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine?
The IUPAC name of 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine (CID 147112107) is 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine.
What is the SMILES notation for 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine?
The canonical SMILES for 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine is Cc1cccc(N(c2cccc(Cc3cccc(C(C)C)c3)c2)c2ccc3ccc4c(N(C5=CC=CC(C)C5)c5cccc(C6(c7cccc(C(C)C)c7)C7=C(C=CCC7)c7ccccc76)c5)ccc5ccc2c3c54)c1.
What is the InChIKey of 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine?
The InChIKey is BMSAOHUJILJIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66N2/c1-48(2)56-21-13-19-52(44-56)43-53-20-14-27-62(45-53)75(60-25-11-17-50(5)41-60)70-39-35-54-34-38-67-71(40-36-55-33-37-66(70)72(54)73(55)67)76(61-26-12-18-51(6)42-61)63-28-16-24-59(47-63)74(58-23-15-22-57(46-58)49(3)4)68-31-9-7-29-64(68)65-30-8-10-32-69(65)74/h7-9,11-31,33-41,44-49,51H,10,32,42-43H2,1-6H3.
What are the key properties of 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine?
6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine has a molecular weight of 983.36 g/mol, XLogP of 20.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-methylcyclohexa-1,3-dien-1-yl)-1-N-(3-methylphenyl)-6-N-[3-[9-(3-propan-2-ylphenyl)-1,2-dihydrofluoren-9-yl]phenyl]-1-N-[3-[(3-propan-2-ylphenyl)methyl]phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 147112107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).