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

C56H56N2 — CID 58232451

IUPAC4,11-ditert-butyl-6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1-c1cc3c(c(C(C)(C)C)c1C2(C)C)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
InChIInChI=1S/C56H56N2/c1-53(2,3)46-34-42(58(39-27-19-13-20-28-39)40-29-21-14-22-30-40)35-47-49(46)44-36-48-50(52(54(4,5)6)51(44)56(47,9)10)43-32-31-41(33-45(43)55(48,7)8)57(37-23-15-11-16-24-37)38-25-17-12-18-26-38/h11-36H,1-10H3
InChIKeyJJVDGBFIPLHAFE-UHFFFAOYSA-N
MW757.08 g/mol
LogP15.83
Rot. Bonds6

About 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

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 (PubChem CID 58232451) has the molecular formula C56H56N2 and a molecular weight of 757.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,11-ditert-butyl-6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
PubChem CID58232451
Molecular FormulaC56H56N2
Molecular Weight757.08 g/mol
Exact Mass756.44
IUPAC Name4,11-ditert-butyl-6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1-c1cc3c(c(C(C)(C)C)c1C2(C)C)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
InChIInChI=1S/C56H56N2/c1-53(2,3)46-34-42(58(39-27-19-13-20-28-39)40-29-21-14-22-30-40)35-47-49(46)44-36-48-50(52(54(4,5)6)51(44)56(47,9)10)43-32-31-41(33-45(43)55(48,7)8)57(37-23-15-11-16-24-37)38-25-17-12-18-26-38/h11-36H,1-10H3
InChIKeyJJVDGBFIPLHAFE-UHFFFAOYSA-N
XLogP15.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.08
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N,4,11-hexakis-phenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232517
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 177067969
2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 177067952
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-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 59412990
N-[3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-4-methylphenyl]-7-tert-butyl-9,9-dimethyl-N-phenylfluoren-2-amine;7-tert-butyl-N-[4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 158494955
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
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
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
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)cc2c1-c1cc3c(c(C(C)(C)C)c1C2(C)C)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C.
What is the InChIKey of 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?
The InChIKey is JJVDGBFIPLHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N2/c1-53(2,3)46-34-42(58(39-27-19-13-20-28-39)40-29-21-14-22-30-40)35-47-49(46)44-36-48-50(52(54(4,5)6)51(44)56(47,9)10)43-32-31-41(33-45(43)55(48,7)8)57(37-23-15-11-16-24-37)38-25-17-12-18-26-38/h11-36H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 757.08 g/mol, XLogP of 15.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58232451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).