4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

C48H38ClN — CID 138455880

IUPAC4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(Cl)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C48H38ClN/c1-47(2)41-18-12-11-17-38(41)39-29-43-40(30-42(39)47)46-44(48(43,3)4)27-37(28-45(46)49)50(35-23-19-33(20-24-35)31-13-7-5-8-14-31)36-25-21-34(22-26-36)32-15-9-6-10-16-32/h5-30H,1-4H3
InChIKeyXKOQMHJFAHMHSZ-UHFFFAOYSA-N
MW664.29 g/mol
LogP13.76
Rot. Bonds5

About 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (PubChem CID 138455880) has the molecular formula C48H38ClN and a molecular weight of 664.29 g/mol. Its IUPAC name is 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound Name4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
PubChem CID138455880
Molecular FormulaC48H38ClN
Molecular Weight664.29 g/mol
Exact Mass663.27
IUPAC Name4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(Cl)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C48H38ClN/c1-47(2)41-18-12-11-17-38(41)39-29-43-40(30-42(39)47)46-44(48(43,3)4)27-37(28-45(46)49)50(35-23-19-33(20-24-35)31-13-7-5-8-14-31)36-25-21-34(22-26-36)32-15-9-6-10-16-32/h5-30H,1-4H3
InChIKeyXKOQMHJFAHMHSZ-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.29
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
CID 138462000
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
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
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The IUPAC name of 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (CID 138455880) is 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The canonical SMILES for 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(Cl)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C.
What is the InChIKey of 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The InChIKey is XKOQMHJFAHMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38ClN/c1-47(2)41-18-12-11-17-38(41)39-29-43-40(30-42(39)47)46-44(48(43,3)4)27-37(28-45(46)49)50(35-23-19-33(20-24-35)31-13-7-5-8-14-31)36-25-21-34(22-26-36)32-15-9-6-10-16-32/h5-30H,1-4H3.
What are the key properties of 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine has a molecular weight of 664.29 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 138455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).