N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene

C79H85N — CID 145306338

IUPACN-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene
SMILESCCC(C)=C(C)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1C.CCC/C=C(/N=C(\C)c1ccccc1)c1ccc(C)c(/C(=C(/C)CCC)c2ccccc2C2=C(C)CC(C)c3ccccc3C(C)C2)c1
InChIInChI=1S/C47H55N.C32H30/c1-9-11-26-46(48-37(8)38-20-13-12-14-21-38)39-28-27-32(3)45(31-39)47(33(4)19-10-2)43-25-18-17-24-42(43)44-30-36(7)41-23-16-15-22-40(41)34(5)29-35(44)6;1-5-22(2)24(4)26-18-13-21-30-31(26)27-17-10-12-20-29(27)32(30,25-15-7-6-8-16-25)28-19-11-9-14-23(28)3/h12-18,20-28,31,34,36H,9-11,19,29-30H2,1-8H3;6-21H,5H2,1-4H3/b44-35?,46-26+,47-33-,48-37+;
InChIKeyVIQFCLOMYUDEMI-SVRIHWMJSA-N
MW1048.56 g/mol
LogP22.30
Rot. Bonds14

About N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene

N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene (PubChem CID 145306338) has the molecular formula C79H85N and a molecular weight of 1048.56 g/mol. Its IUPAC name is N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene.

Molecular Properties

Compound NameN-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene
PubChem CID145306338
Molecular FormulaC79H85N
Molecular Weight1048.56 g/mol
Exact Mass1047.67
IUPAC NameN-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene
SMILESCCC(C)=C(C)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1C.CCC/C=C(/N=C(\C)c1ccccc1)c1ccc(C)c(/C(=C(/C)CCC)c2ccccc2C2=C(C)CC(C)c3ccccc3C(C)C2)c1
InChIInChI=1S/C47H55N.C32H30/c1-9-11-26-46(48-37(8)38-20-13-12-14-21-38)39-28-27-32(3)45(31-39)47(33(4)19-10-2)43-25-18-17-24-42(43)44-30-36(7)41-23-16-15-22-40(41)34(5)29-35(44)6;1-5-22(2)24(4)26-18-13-21-30-31(26)27-17-10-12-20-29(27)32(30,25-15-7-6-8-16-25)28-19-11-9-14-23(28)3/h12-18,20-28,31,34,36H,9-11,19,29-30H2,1-8H3;6-21H,5H2,1-4H3/b44-35?,46-26+,47-33-,48-37+;
InChIKeyVIQFCLOMYUDEMI-SVRIHWMJSA-N
XLogP22.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.56
LogP ≤ 522.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene with MolForge

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Related Compounds

4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene
CID 145306340
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
1-(9,9-diphenylfluoren-4-yl)-N-(1-phenylethenyl)ethanimine
CID 178165620
4'-[(5E,7Z)-6-ethyl-2,8-dimethyl-7-phenyldeca-2,5,7-trien-5-yl]-9,9'-spirobi[fluorene]
CID 145306498
1-(4-carbazol-9-ylphenyl)-N-(1-phenylethenyl)ethanimine;9,9-diphenyl-4-prop-1-en-2-ylfluorene
CID 145237212
4-methyl-9,9-diphenylfluorene
CID 123595050
3-[9,9-bis(2-methylphenyl)fluoren-4-yl]but-3-enenitrile
CID 161443765
9,9-bis(4-amino-3,5-diethylphenyl)fluorene-4-carboxylic acid
CID 139612538
1-methyl-2-oct-4-en-4-ylbenzene
CID 86019229
4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene
CID 123519909
2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 162245318
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene?
The IUPAC name of N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene (CID 145306338) is N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene.
What is the SMILES notation for N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene?
The canonical SMILES for N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene is CCC(C)=C(C)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1C.CCC/C=C(/N=C(\C)c1ccccc1)c1ccc(C)c(/C(=C(/C)CCC)c2ccccc2C2=C(C)CC(C)c3ccccc3C(C)C2)c1.
What is the InChIKey of N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene?
The InChIKey is VIQFCLOMYUDEMI-SVRIHWMJSA-N. The full InChI is InChI=1S/C47H55N.C32H30/c1-9-11-26-46(48-37(8)38-20-13-12-14-21-38)39-28-27-32(3)45(31-39)47(33(4)19-10-2)43-25-18-17-24-42(43)44-30-36(7)41-23-16-15-22-40(41)34(5)29-35(44)6;1-5-22(2)24(4)26-18-13-21-30-31(26)27-17-10-12-20-29(27)32(30,25-15-7-6-8-16-25)28-19-11-9-14-23(28)3/h12-18,20-28,31,34,36H,9-11,19,29-30H2,1-8H3;6-21H,5H2,1-4H3/b44-35?,46-26+,47-33-,48-37+;.
What are the key properties of N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene?
N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene has a molecular weight of 1048.56 g/mol, XLogP of 22.30, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-methyl-3-[(E)-2-methyl-1-[2-(5,8,10-trimethyl-5,6,9,10-tetrahydrobenzo[8]annulen-7-yl)phenyl]pent-1-enyl]phenyl]pent-1-enyl]-1-phenylethanimine;4-(3-methylpent-2-en-2-yl)-9-(2-methylphenyl)-9-phenylfluorene is sourced from PubChem (CID 145306338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).