N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine

C63H51N — CID 171401760

IUPACN-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c4c(cc5c3-c3cc(-c6ccccc6)ccc3C5(C)C)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C63H51N/c1-61(2)52-23-15-13-21-48(52)49-35-34-47(38-55(49)61)64(46-32-29-44(30-33-46)43-27-25-42(26-28-43)40-17-9-7-10-18-40)60-58-50-22-14-16-24-53(50)62(3,4)56(58)39-57-59(60)51-37-45(41-19-11-8-12-20-41)31-36-54(51)63(57,5)6/h7-39H,1-6H3
InChIKeyGMCPPYGSHHYNMK-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.08
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine

N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine (PubChem CID 171401760) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
PubChem CID171401760
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c4c(cc5c3-c3cc(-c6ccccc6)ccc3C5(C)C)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C63H51N/c1-61(2)52-23-15-13-21-48(52)49-35-34-47(38-55(49)61)64(46-32-29-44(30-33-46)43-27-25-42(26-28-43)40-17-9-7-10-18-40)60-58-50-22-14-16-24-53(50)62(3,4)56(58)39-57-59(60)51-37-45(41-19-11-8-12-20-41)31-36-54(51)63(57,5)6/h7-39H,1-6H3
InChIKeyGMCPPYGSHHYNMK-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)-12,12-dimethyl-N,7,10,10-tetraphenylindeno[2,1-b]fluoren-5-amine
CID 171401927
N,N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7,12,12-triphenylindeno[2,1-b]fluoren-5-amine
CID 171401761
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
CID 171402066
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 177067952
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine (CID 171401760) is N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c4c(cc5c3-c3cc(-c6ccccc6)ccc3C5(C)C)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine?
The InChIKey is GMCPPYGSHHYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-61(2)52-23-15-13-21-48(52)49-35-34-47(38-55(49)61)64(46-32-29-44(30-33-46)43-27-25-42(26-28-43)40-17-9-7-10-18-40)60-58-50-22-14-16-24-53(50)62(3,4)56(58)39-57-59(60)51-37-45(41-19-11-8-12-20-41)31-36-54(51)63(57,5)6/h7-39H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine?
N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-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-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine is sourced from PubChem (CID 171401760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).