5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine

C59H45NO — CID 118081175

IUPAC5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc2-c2c1ccc1c2Oc2ccccc2C1(C)c1ccccc1
InChIInChI=1S/C59H45NO/c1-58(2)52-36-37-53-57(61-55-25-14-13-24-51(55)59(53,3)46-22-11-6-12-23-46)56(52)50-35-34-49(39-54(50)58)60(47-30-26-42(27-31-47)40-16-7-4-8-17-40)48-32-28-43(29-33-48)45-21-15-20-44(38-45)41-18-9-5-10-19-41/h4-39H,1-3H3
InChIKeyRBMBMQSJRXVWKF-UHFFFAOYSA-N
MW784.02 g/mol
LogP15.92
Rot. Bonds7

About 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine

5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine (PubChem CID 118081175) has the molecular formula C59H45NO and a molecular weight of 784.02 g/mol. Its IUPAC name is 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine.

Molecular Properties

Compound Name5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine
PubChem CID118081175
Molecular FormulaC59H45NO
Molecular Weight784.02 g/mol
Exact Mass783.35
IUPAC Name5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc2-c2c1ccc1c2Oc2ccccc2C1(C)c1ccccc1
InChIInChI=1S/C59H45NO/c1-58(2)52-36-37-53-57(61-55-25-14-13-24-51(55)59(53,3)46-22-11-6-12-23-46)56(52)50-35-34-49(39-54(50)58)60(47-30-26-42(27-31-47)40-16-7-4-8-17-40)48-32-28-43(29-33-48)45-21-15-20-44(38-45)41-18-9-5-10-19-41/h4-39H,1-3H3
InChIKeyRBMBMQSJRXVWKF-UHFFFAOYSA-N
XLogP15.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.02
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine with MolForge

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Related Compounds

bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-[4-(5,8-dimethyl-5,8-diphenylindeno[2,1-c]xanthen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118081268
9,9-dimethyl-N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445

Frequently Asked Questions

What is the IUPAC name of 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine?
The IUPAC name of 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine (CID 118081175) is 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine.
What is the SMILES notation for 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine?
The canonical SMILES for 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc2-c2c1ccc1c2Oc2ccccc2C1(C)c1ccccc1.
What is the InChIKey of 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine?
The InChIKey is RBMBMQSJRXVWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NO/c1-58(2)52-36-37-53-57(61-55-25-14-13-24-51(55)59(53,3)46-22-11-6-12-23-46)56(52)50-35-34-49(39-54(50)58)60(47-30-26-42(27-31-47)40-16-7-4-8-17-40)48-32-28-43(29-33-48)45-21-15-20-44(38-45)41-18-9-5-10-19-41/h4-39H,1-3H3.
What are the key properties of 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine?
5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine has a molecular weight of 784.02 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]indeno[2,1-c]xanthen-10-amine is sourced from PubChem (CID 118081175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).