N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine

C63H51N — CID 138461967

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc5c4-c4cc6c(cc4C5(C)C)-c4ccccc4C6(C)C)cc3)cc21
InChIInChI=1S/C63H51N/c1-61(2)53-19-12-10-17-48(53)50-36-31-45(37-56(50)61)44-29-34-47(35-30-44)64(46-32-27-43(28-33-46)42-25-23-41(24-26-42)40-15-8-7-9-16-40)59-22-14-21-55-60(59)52-39-57-51(38-58(52)63(55,5)6)49-18-11-13-20-54(49)62(57,3)4/h7-39H,1-6H3
InChIKeySNUOUHVFLCPNDI-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.08
Rot. Bonds6

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine (PubChem CID 138461967) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
PubChem CID138461967
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc5c4-c4cc6c(cc4C5(C)C)-c4ccccc4C6(C)C)cc3)cc21
InChIInChI=1S/C63H51N/c1-61(2)53-19-12-10-17-48(53)50-36-31-45(37-56(50)61)44-29-34-47(35-30-44)64(46-32-27-43(28-33-46)42-25-23-41(24-26-42)40-15-8-7-9-16-40)59-22-14-21-55-60(59)52-39-57-51(38-58(52)63(55,5)6)49-18-11-13-20-54(49)62(57,3)4/h7-39H,1-6H3
InChIKeySNUOUHVFLCPNDI-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.11
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine (CID 138461967) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc5c4-c4cc6c(cc4C5(C)C)-c4ccccc4C6(C)C)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine?
The InChIKey is SNUOUHVFLCPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-61(2)53-19-12-10-17-48(53)50-36-31-45(37-56(50)61)44-29-34-47(35-30-44)64(46-32-27-43(28-33-46)42-25-23-41(24-26-42)40-15-8-7-9-16-40)59-22-14-21-55-60(59)52-39-57-51(38-58(52)63(55,5)6)49-18-11-13-20-54(49)62(57,3)4/h7-39H,1-6H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine has a molecular weight of 822.11 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine is sourced from PubChem (CID 138461967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).