N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline

C54H43N — CID 155095533

IUPACN,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc2)cccc1C3(C)C
InChIInChI=1S/C54H43N/c1-53(2)48-20-12-11-18-45(48)46-34-51-47(35-50(46)53)52-44(19-13-21-49(52)54(51,3)4)40-24-22-37(23-25-40)39-28-32-43(33-29-39)55(41-16-9-6-10-17-41)42-30-26-38(27-31-42)36-14-7-5-8-15-36/h5-35H,1-4H3
InChIKeyNPCMFBIEKDCLOR-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.77
Rot. Bonds6

About N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline (PubChem CID 155095533) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
PubChem CID155095533
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc2)cccc1C3(C)C
InChIInChI=1S/C54H43N/c1-53(2)48-20-12-11-18-45(48)46-34-51-47(35-50(46)53)52-44(19-13-21-49(52)54(51,3)4)40-24-22-37(23-25-40)39-28-32-43(33-29-39)55(41-16-9-6-10-17-41)42-30-26-38(27-31-42)36-14-7-5-8-15-36/h5-35H,1-4H3
InChIKeyNPCMFBIEKDCLOR-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
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
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
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
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
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,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
CID 155095551

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline (CID 155095533) is N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc2)cccc1C3(C)C.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline?
The InChIKey is NPCMFBIEKDCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-53(2)48-20-12-11-18-45(48)46-34-51-47(35-50(46)53)52-44(19-13-21-49(52)54(51,3)4)40-24-22-37(23-25-40)39-28-32-43(33-29-39)55(41-16-9-6-10-17-41)42-30-26-38(27-31-42)36-14-7-5-8-15-36/h5-35H,1-4H3.
What are the key properties of N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline has a molecular weight of 705.95 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 155095533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).