6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

C60H49N — CID 174022173

IUPAC6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESC=C/C(=C(\C=C)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-3)c1ccccc1
InChIInChI=1S/C60H49N/c1-7-48(43-25-17-11-18-26-43)57(8-2)61(46-31-29-42(30-32-46)40-21-13-9-14-22-40)47-33-34-49-51-38-56-52(39-55(51)59(3,4)54(49)37-47)53-36-45(41-23-15-10-16-24-41)35-50(58(53)60(56,5)6)44-27-19-12-20-28-44/h7-39H,1-2H2,3-6H3/b57-48-
InChIKeyMKWBKHCHDHBYCZ-RXDNDDQVSA-N
MW784.06 g/mol
LogP16.22
Rot. Bonds9

About 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (PubChem CID 174022173) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
PubChem CID174022173
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC Name6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESC=C/C(=C(\C=C)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-3)c1ccccc1
InChIInChI=1S/C60H49N/c1-7-48(43-25-17-11-18-26-43)57(8-2)61(46-31-29-42(30-32-46)40-21-13-9-14-22-40)47-33-34-49-51-38-56-52(39-55(51)59(3,4)54(49)37-47)53-36-45(41-23-15-10-16-24-41)35-50(58(53)60(56,5)6)44-27-19-12-20-28-44/h7-39H,1-2H2,3-6H3/b57-48-
InChIKeyMKWBKHCHDHBYCZ-RXDNDDQVSA-N
XLogP16.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine with MolForge

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Related Compounds

6,6,12,12-tetramethyl-7,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455841
6,6,12,12-tetramethyl-7-phenyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455813
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene
CID 138461805
11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 134269456
2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 167197240
9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-10,10,12,12-tetramethyl-4-phenyl-N-(4-phenylphenyl)indeno[2,1-b]fluoren-8-amine
CID 142541092

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The IUPAC name of 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (CID 174022173) is 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The canonical SMILES for 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is C=C/C(=C(\C=C)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-3)c1ccccc1.
What is the InChIKey of 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The InChIKey is MKWBKHCHDHBYCZ-RXDNDDQVSA-N. The full InChI is InChI=1S/C60H49N/c1-7-48(43-25-17-11-18-26-43)57(8-2)61(46-31-29-42(30-32-46)40-21-13-9-14-22-40)47-33-34-49-51-38-56-52(39-55(51)59(3,4)54(49)37-47)53-36-45(41-23-15-10-16-24-41)35-50(58(53)60(56,5)6)44-27-19-12-20-28-44/h7-39H,1-2H2,3-6H3/b57-48-.
What are the key properties of 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine has a molecular weight of 784.06 g/mol, XLogP of 16.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-7,9-diphenyl-N-[(3Z)-4-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 174022173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).