5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine

C52H48N2 — CID 58232518

IUPAC5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine
SMILESCC(C)(C)c1cc2c(c3c1-c1ccc(N(c4ccccc4)c4ccccc4)cc1C3(C)C)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C52H48N2/c1-50(2,3)46-34-43-41-30-28-39(53(35-20-12-8-13-21-35)36-22-14-9-15-23-36)32-44(41)51(4,5)48(43)49-47(46)42-31-29-40(33-45(42)52(49,6)7)54(37-24-16-10-17-25-37)38-26-18-11-19-27-38/h8-34H,1-7H3
InChIKeyUOVZIXLHZMQTIB-UHFFFAOYSA-N
MW700.97 g/mol
LogP14.54
Rot. Bonds6

About 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine

5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine (PubChem CID 58232518) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine.

Molecular Properties

Compound Name5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine
PubChem CID58232518
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC Name5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine
SMILESCC(C)(C)c1cc2c(c3c1-c1ccc(N(c4ccccc4)c4ccccc4)cc1C3(C)C)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C52H48N2/c1-50(2,3)46-34-43-41-30-28-39(53(35-20-12-8-13-21-35)36-22-14-9-15-23-36)32-44(41)51(4,5)48(43)49-47(46)42-31-29-40(33-45(42)52(49,6)7)54(37-24-16-10-17-25-37)38-26-18-11-19-27-38/h8-34H,1-7H3
InChIKeyUOVZIXLHZMQTIB-UHFFFAOYSA-N
XLogP14.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine with MolForge

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Related Compounds

4,11-ditert-butyl-6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232451
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
21,21-dimethyl-N,N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 155298572
5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 88954286
11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine
CID 163475592
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 177067969
11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 134269456
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine?
The IUPAC name of 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine (CID 58232518) is 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine.
What is the SMILES notation for 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine?
The canonical SMILES for 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine is CC(C)(C)c1cc2c(c3c1-c1ccc(N(c4ccccc4)c4ccccc4)cc1C3(C)C)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine?
The InChIKey is UOVZIXLHZMQTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-50(2,3)46-34-43-41-30-28-39(53(35-20-12-8-13-21-35)36-22-14-9-15-23-36)32-44(41)51(4,5)48(43)49-47(46)42-31-29-40(33-45(42)52(49,6)7)54(37-24-16-10-17-25-37)38-26-18-11-19-27-38/h8-34H,1-7H3.
What are the key properties of 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine?
5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine has a molecular weight of 700.97 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine is sourced from PubChem (CID 58232518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).