9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C61H48N2 — CID 145117357

IUPAC9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=C/C(=c1/ccccc1=C)N(c1ccccc1)c1ccccc1-c1ccc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C61H48N2/c1-5-58(51-25-13-12-20-43(51)2)63(48-23-10-7-11-24-48)60-31-19-16-27-53(60)47-34-32-46(33-35-47)52-26-15-18-30-59(52)62(49-38-36-45(37-39-49)44-21-8-6-9-22-44)50-40-41-55-54-28-14-17-29-56(54)61(3,4)57(55)42-50/h5-42H,1-2H2,3-4H3/b58-51+
InChIKeyXAUGPRWOMOZGTL-NAEAQWPLSA-N
MW809.07 g/mol
LogP15.01
Rot. Bonds10

About 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 145117357) has the molecular formula C61H48N2 and a molecular weight of 809.07 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID145117357
Molecular FormulaC61H48N2
Molecular Weight809.07 g/mol
Exact Mass808.38
IUPAC Name9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=C/C(=c1/ccccc1=C)N(c1ccccc1)c1ccccc1-c1ccc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C61H48N2/c1-5-58(51-25-13-12-20-43(51)2)63(48-23-10-7-11-24-48)60-31-19-16-27-53(60)47-34-32-46(33-35-47)52-26-15-18-30-59(52)62(49-38-36-45(37-39-49)44-21-8-6-9-22-44)50-40-41-55-54-28-14-17-29-56(54)61(3,4)57(55)42-50/h5-42H,1-2H2,3-4H3/b58-51+
InChIKeyXAUGPRWOMOZGTL-NAEAQWPLSA-N
XLogP15.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.07
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 145117357) is 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is C=C/C(=c1/ccccc1=C)N(c1ccccc1)c1ccccc1-c1ccc(-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XAUGPRWOMOZGTL-NAEAQWPLSA-N. The full InChI is InChI=1S/C61H48N2/c1-5-58(51-25-13-12-20-43(51)2)63(48-23-10-7-11-24-48)60-31-19-16-27-53(60)47-34-32-46(33-35-47)52-26-15-18-30-59(52)62(49-38-36-45(37-39-49)44-21-8-6-9-22-44)50-40-41-55-54-28-14-17-29-56(54)61(3,4)57(55)42-50/h5-42H,1-2H2,3-4H3/b58-51+.
What are the key properties of 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 809.07 g/mol, XLogP of 15.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-[4-[2-(N-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 145117357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).