2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline

C74H55N — CID 142480920

IUPAC2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
SMILESC1=CCC(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c4ccccc4C4=CCCC=C4)cc3)cc2)C=C1
InChIInChI=1S/C74H55N/c1-5-21-52(22-6-1)53-37-39-54(40-38-53)55-41-46-61(47-42-55)75(72-36-20-14-29-63(72)57-23-7-2-8-24-57)62-48-43-56(44-49-62)58-45-50-65-64-30-13-15-31-66(64)74(71(65)51-58)69-34-18-16-32-67(69)73(59-25-9-3-10-26-59,60-27-11-4-12-28-60)68-33-17-19-35-70(68)74/h1,3-7,9-21,23-52H,2,8,22H2
InChIKeyPGAULXMUKVLDCZ-UHFFFAOYSA-N
MW958.26 g/mol
LogP18.88
Rot. Bonds9

About 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline

2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline (PubChem CID 142480920) has the molecular formula C74H55N and a molecular weight of 958.26 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
PubChem CID142480920
Molecular FormulaC74H55N
Molecular Weight958.26 g/mol
Exact Mass957.43
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
SMILESC1=CCC(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c4ccccc4C4=CCCC=C4)cc3)cc2)C=C1
InChIInChI=1S/C74H55N/c1-5-21-52(22-6-1)53-37-39-54(40-38-53)55-41-46-61(47-42-55)75(72-36-20-14-29-63(72)57-23-7-2-8-24-57)62-48-43-56(44-49-62)58-45-50-65-64-30-13-15-31-66(64)74(71(65)51-58)69-34-18-16-32-67(69)73(59-25-9-3-10-26-59,60-27-11-4-12-28-60)68-33-17-19-35-70(68)74/h1,3-7,9-21,23-52H,2,8,22H2
InChIKeyPGAULXMUKVLDCZ-UHFFFAOYSA-N
XLogP18.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.26
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
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
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 153471126
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
2-cyclohexa-2,4-dien-1-yl-8-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 126612077

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline (CID 142480920) is 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline is C1=CCC(c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c4ccccc4C4=CCCC=C4)cc3)cc2)C=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline?
The InChIKey is PGAULXMUKVLDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H55N/c1-5-21-52(22-6-1)53-37-39-54(40-38-53)55-41-46-61(47-42-55)75(72-36-20-14-29-63(72)57-23-7-2-8-24-57)62-48-43-56(44-49-62)58-45-50-65-64-30-13-15-31-66(64)74(71(65)51-58)69-34-18-16-32-67(69)73(59-25-9-3-10-26-59,60-27-11-4-12-28-60)68-33-17-19-35-70(68)74/h1,3-7,9-21,23-52H,2,8,22H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline?
2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline has a molecular weight of 958.26 g/mol, XLogP of 18.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline is sourced from PubChem (CID 142480920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).