N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C64H49N — CID 154957217

IUPACN-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cc(C5C=CC=CC5)ccc3-c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C64H49N/c1-63(2)57-32-18-15-30-53(57)55-39-36-49(42-59(55)63)65(62-34-20-17-29-52(62)46-25-11-5-12-26-46)50-37-40-56-54-31-16-19-33-58(54)64(61(56)43-50,48-27-13-6-14-28-48)60-41-47(44-21-7-3-8-22-44)35-38-51(60)45-23-9-4-10-24-45/h3-21,23-44H,22H2,1-2H3
InChIKeyXOGFODQHNWYQCP-UHFFFAOYSA-N
MW832.10 g/mol
LogP16.76
Rot. Bonds8

About N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 154957217) has the molecular formula C64H49N and a molecular weight of 832.10 g/mol. Its IUPAC name is N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID154957217
Molecular FormulaC64H49N
Molecular Weight832.10 g/mol
Exact Mass831.39
IUPAC NameN-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cc(C5C=CC=CC5)ccc3-c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C64H49N/c1-63(2)57-32-18-15-30-53(57)55-39-36-49(42-59(55)63)65(62-34-20-17-29-52(62)46-25-11-5-12-26-46)50-37-40-56-54-31-16-19-33-58(54)64(61(56)43-50,48-27-13-6-14-28-48)60-41-47(44-21-7-3-8-22-44)35-38-51(60)45-23-9-4-10-24-45/h3-21,23-44H,22H2,1-2H3
InChIKeyXOGFODQHNWYQCP-UHFFFAOYSA-N
XLogP16.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 153471126
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 121361277
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400

Frequently Asked Questions

What is the IUPAC name of N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 154957217) is N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cc(C5C=CC=CC5)ccc3-c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is XOGFODQHNWYQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N/c1-63(2)57-32-18-15-30-53(57)55-39-36-49(42-59(55)63)65(62-34-20-17-29-52(62)46-25-11-5-12-26-46)50-37-40-56-54-31-16-19-33-58(54)64(61(56)43-50,48-27-13-6-14-28-48)60-41-47(44-21-7-3-8-22-44)35-38-51(60)45-23-9-4-10-24-45/h3-21,23-44H,22H2,1-2H3.
What are the key properties of N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 832.10 g/mol, XLogP of 16.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154957217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).