N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C64H64N2 — CID 89163985

IUPACN-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/C4=CC=C5c6ccc(N(c7ccccc7)c7ccc(C(C)(C)C)cc7)cc6C(C)(C)C5C4)ccc2-3)cc1
InChIInChI=1S/C64H64N2/c1-61(2,3)45-25-29-49(30-26-45)65(47-17-13-11-14-18-47)51-33-37-55-53-35-23-43(39-57(53)63(7,8)59(55)41-51)21-22-44-24-36-54-56-38-34-52(42-60(56)64(9,10)58(54)40-44)66(48-19-15-12-16-20-48)50-31-27-46(28-32-50)62(4,5)6/h11-39,41-42,58H,40H2,1-10H3/b22-21+
InChIKeyHKUMXGSRGCQVPQ-QURGRASLSA-N
MW861.23 g/mol
LogP17.86
Rot. Bonds8

About N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 89163985) has the molecular formula C64H64N2 and a molecular weight of 861.23 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID89163985
Molecular FormulaC64H64N2
Molecular Weight861.23 g/mol
Exact Mass860.51
IUPAC NameN-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/C4=CC=C5c6ccc(N(c7ccccc7)c7ccc(C(C)(C)C)cc7)cc6C(C)(C)C5C4)ccc2-3)cc1
InChIInChI=1S/C64H64N2/c1-61(2,3)45-25-29-49(30-26-45)65(47-17-13-11-14-18-47)51-33-37-55-53-35-23-43(39-57(53)63(7,8)59(55)41-51)21-22-44-24-36-54-56-38-34-52(42-60(56)64(9,10)58(54)40-44)66(48-19-15-12-16-20-48)50-31-27-46(28-32-50)62(4,5)6/h11-39,41-42,58H,40H2,1-10H3/b22-21+
InChIKeyHKUMXGSRGCQVPQ-QURGRASLSA-N
XLogP17.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.23
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[7-(N-(4-tert-butylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068171
7-[(E)-2-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067561
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-N,N-bis(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 59246573
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(3-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-N-(4-tert-butylphenyl)-9,9-dimethyl-N-(3-methylphenyl)fluoren-2-amine
CID 59245944
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
CID 59246471

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 89163985) is N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/C4=CC=C5c6ccc(N(c7ccccc7)c7ccc(C(C)(C)C)cc7)cc6C(C)(C)C5C4)ccc2-3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is HKUMXGSRGCQVPQ-QURGRASLSA-N. The full InChI is InChI=1S/C64H64N2/c1-61(2,3)45-25-29-49(30-26-45)65(47-17-13-11-14-18-47)51-33-37-55-53-35-23-43(39-57(53)63(7,8)59(55)41-51)21-22-44-24-36-54-56-38-34-52(42-60(56)64(9,10)58(54)40-44)66(48-19-15-12-16-20-48)50-31-27-46(28-32-50)62(4,5)6/h11-39,41-42,58H,40H2,1-10H3/b22-21+.
What are the key properties of N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 861.23 g/mol, XLogP of 17.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 89163985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).