N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine

C66H52N2 — CID 167169670

IUPACN-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(N4C5=CC=CCC5c5ccccc54)cc3)ccc2-c2cc3c(cc21)-c1c(-c2ccccc2)cccc1C3(C)C
InChIInChI=1S/C66H52N2/c1-65(2)58-23-15-22-52(47-18-9-6-10-19-47)64(58)57-42-60-56(41-61(57)65)53-39-38-51(40-59(53)66(60,3)4)67(48-32-30-46(31-33-48)45-28-26-44(27-29-45)43-16-7-5-8-17-43)49-34-36-50(37-35-49)68-62-24-13-11-20-54(62)55-21-12-14-25-63(55)68/h5-20,22-42,55H,21H2,1-4H3
InChIKeyZGNHFOHLLGIWPL-UHFFFAOYSA-N
MW873.16 g/mol
LogP17.85
Rot. Bonds7

About N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine

N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine (PubChem CID 167169670) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
PubChem CID167169670
Molecular FormulaC66H52N2
Molecular Weight873.16 g/mol
Exact Mass872.41
IUPAC NameN-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(N4C5=CC=CCC5c5ccccc54)cc3)ccc2-c2cc3c(cc21)-c1c(-c2ccccc2)cccc1C3(C)C
InChIInChI=1S/C66H52N2/c1-65(2)58-23-15-22-52(47-18-9-6-10-19-47)64(58)57-42-60-56(41-61(57)65)53-39-38-51(40-59(53)66(60,3)4)67(48-32-30-46(31-33-48)45-28-26-44(27-29-45)43-16-7-5-8-17-43)49-34-36-50(37-35-49)68-62-24-13-11-20-54(62)55-21-12-14-25-63(55)68/h5-20,22-42,55H,21H2,1-4H3
InChIKeyZGNHFOHLLGIWPL-UHFFFAOYSA-N
XLogP17.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.16
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
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
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167154560
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
CID 70819605
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
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,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?
The IUPAC name of N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine (CID 167169670) is N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?
The canonical SMILES for N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(N4C5=CC=CCC5c5ccccc54)cc3)ccc2-c2cc3c(cc21)-c1c(-c2ccccc2)cccc1C3(C)C.
What is the InChIKey of N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?
The InChIKey is ZGNHFOHLLGIWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2/c1-65(2)58-23-15-22-52(47-18-9-6-10-19-47)64(58)57-42-60-56(41-61(57)65)53-39-38-51(40-59(53)66(60,3)4)67(48-32-30-46(31-33-48)45-28-26-44(27-29-45)43-16-7-5-8-17-43)49-34-36-50(37-35-49)68-62-24-13-11-20-54(62)55-21-12-14-25-63(55)68/h5-20,22-42,55H,21H2,1-4H3.
What are the key properties of N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine has a molecular weight of 873.16 g/mol, XLogP of 17.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 167169670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).