4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

C68H56N2 — CID 90260304

IUPAC4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(N(c2ccccc2)c2ccc(-c4cccc(-c5ccccc5)c4)cc2)cc1C3(C)C
InChIInChI=1S/C68H56N2/c1-45-38-57(69(53-26-15-9-16-27-53)55-34-30-49(31-35-55)47-20-11-7-12-21-47)41-63-65(45)59-43-62-60(44-61(59)67(63,3)4)66-46(2)39-58(42-64(66)68(62,5)6)70(54-28-17-10-18-29-54)56-36-32-50(33-37-56)52-25-19-24-51(40-52)48-22-13-8-14-23-48/h7-44H,1-6H3
InChIKeyYRNDGBUKPPKCDH-UHFFFAOYSA-N
MW901.21 g/mol
LogP18.86
Rot. Bonds9

About 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 90260304) has the molecular formula C68H56N2 and a molecular weight of 901.21 g/mol. Its IUPAC name is 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
PubChem CID90260304
Molecular FormulaC68H56N2
Molecular Weight901.21 g/mol
Exact Mass900.44
IUPAC Name4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(N(c2ccccc2)c2ccc(-c4cccc(-c5ccccc5)c4)cc2)cc1C3(C)C
InChIInChI=1S/C68H56N2/c1-45-38-57(69(53-26-15-9-16-27-53)55-34-30-49(31-35-55)47-20-11-7-12-21-47)41-63-65(45)59-43-62-60(44-61(59)67(63,3)4)66-46(2)39-58(42-64(66)68(62,5)6)70(54-28-17-10-18-29-54)56-36-32-50(33-37-56)52-25-19-24-51(40-52)48-22-13-8-14-23-48/h7-44H,1-6H3
InChIKeyYRNDGBUKPPKCDH-UHFFFAOYSA-N
XLogP18.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.21
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (CID 90260304) is 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is Cc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc2c1-c1cc3c(cc1C2(C)C)-c1c(C)cc(N(c2ccccc2)c2ccc(-c4cccc(-c5ccccc5)c4)cc2)cc1C3(C)C.
What is the InChIKey of 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is YRNDGBUKPPKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56N2/c1-45-38-57(69(53-26-15-9-16-27-53)55-34-30-49(31-35-55)47-20-11-7-12-21-47)41-63-65(45)59-43-62-60(44-61(59)67(63,3)4)66-46(2)39-58(42-64(66)68(62,5)6)70(54-28-17-10-18-29-54)56-36-32-50(33-37-56)52-25-19-24-51(40-52)48-22-13-8-14-23-48/h7-44H,1-6H3.
What are the key properties of 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 901.21 g/mol, XLogP of 18.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 90260304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).