4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline

C51H41NO — CID 146648673

IUPAC4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c1ccc1c2C2=CC=CC(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C5C=CC=CC5)cc4)cc3)C2O1
InChIInChI=1S/C51H41NO/c1-51(2)45-19-10-9-16-43(45)48-46(51)32-33-47-49(48)44-18-11-17-42(50(44)53-47)38-24-30-41(31-25-38)52(39-26-20-36(21-27-39)34-12-5-3-6-13-34)40-28-22-37(23-29-40)35-14-7-4-8-15-35/h3-14,16-33,35,42,50H,15H2,1-2H3
InChIKeyPAFKQEBWDHZHCS-UHFFFAOYSA-N
MW683.90 g/mol
LogP13.23
Rot. Bonds6

About 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline

4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 146648673) has the molecular formula C51H41NO and a molecular weight of 683.90 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID146648673
Molecular FormulaC51H41NO
Molecular Weight683.90 g/mol
Exact Mass683.32
IUPAC Name4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c1ccc1c2C2=CC=CC(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C5C=CC=CC5)cc4)cc3)C2O1
InChIInChI=1S/C51H41NO/c1-51(2)45-19-10-9-16-43(45)48-46(51)32-33-47-49(48)44-18-11-17-42(50(44)53-47)38-24-30-41(31-25-38)52(39-26-20-36(21-27-39)34-12-5-3-6-13-34)40-28-22-37(23-29-40)35-14-7-4-8-15-35/h3-14,16-33,35,42,50H,15H2,1-2H3
InChIKeyPAFKQEBWDHZHCS-UHFFFAOYSA-N
XLogP13.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.90
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
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-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine
CID 144519798
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 146648673) is 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c1ccc1c2C2=CC=CC(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C5C=CC=CC5)cc4)cc3)C2O1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is PAFKQEBWDHZHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41NO/c1-51(2)45-19-10-9-16-43(45)48-46(51)32-33-47-49(48)44-18-11-17-42(50(44)53-47)38-24-30-41(31-25-38)52(39-26-20-36(21-27-39)34-12-5-3-6-13-34)40-28-22-37(23-29-40)35-14-7-4-8-15-35/h3-14,16-33,35,42,50H,15H2,1-2H3.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 683.90 g/mol, XLogP of 13.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146648673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).