5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

C75H62N2O — CID 126632927

IUPAC5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCC(C)(C)c1ccc(N(C2=CCC(c3ccccc3)C=C2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)C)cc4)cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C75H62N2O/c1-73(2,3)53-33-41-56(42-34-53)76(55-37-29-51(30-38-55)49-19-9-7-10-20-49)59-45-46-62-66(47-59)75(64-26-16-13-23-60(64)61-24-14-17-27-65(61)75)67-48-68(71-63-25-15-18-28-69(63)78-72(71)70(62)67)77(58-43-35-54(36-44-58)74(4,5)6)57-39-31-52(32-40-57)50-21-11-8-12-22-50/h7-31,33-48,52H,32H2,1-6H3
InChIKeyPIUGXEDIQSIJFO-UHFFFAOYSA-N
MW1007.33 g/mol
LogP20.43
Rot. Bonds8

About 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (PubChem CID 126632927) has the molecular formula C75H62N2O and a molecular weight of 1007.33 g/mol. Its IUPAC name is 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.

Molecular Properties

Compound Name5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
PubChem CID126632927
Molecular FormulaC75H62N2O
Molecular Weight1007.33 g/mol
Exact Mass1006.49
IUPAC Name5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCC(C)(C)c1ccc(N(C2=CCC(c3ccccc3)C=C2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)C)cc4)cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C75H62N2O/c1-73(2,3)53-33-41-56(42-34-53)76(55-37-29-51(30-38-55)49-19-9-7-10-20-49)59-45-46-62-66(47-59)75(64-26-16-13-23-60(64)61-24-14-17-27-65(61)75)67-48-68(71-63-25-15-18-28-69(63)78-72(71)70(62)67)77(58-43-35-54(36-44-58)74(4,5)6)57-39-31-52(32-40-57)50-21-11-8-12-22-50/h7-31,33-48,52H,32H2,1-6H3
InChIKeyPIUGXEDIQSIJFO-UHFFFAOYSA-N
XLogP20.43
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.33
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine with MolForge

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Related Compounds

5-N'-(4-tert-butyl-4-methylcyclohexa-1,5-dien-1-yl)-5-N',9-N',9-N'-tris(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 131993049
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3,5-dimethylphenyl)-5-N'-(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 165053097
N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130259
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane
CID 161250975
N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]-2-amine
CID 123504509
12-N-(4-tert-butylphenyl)-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,18-N-diphenyl-12-N,18-N-bis(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N-naphthalen-2-yl-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 163642963
12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 158172755
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-15-amine
CID 129130281
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis[4-(2-fluorophenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-11,17-diamine
CID 126632935
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
3-tert-butyl-7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523172

Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (CID 126632927) is 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.
What is the SMILES notation for 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The canonical SMILES for 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is CC(C)(C)c1ccc(N(C2=CCC(c3ccccc3)C=C2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C(C)(C)C)cc4)cc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The InChIKey is PIUGXEDIQSIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H62N2O/c1-73(2,3)53-33-41-56(42-34-53)76(55-37-29-51(30-38-55)49-19-9-7-10-20-49)59-45-46-62-66(47-59)75(64-26-16-13-23-60(64)61-24-14-17-27-65(61)75)67-48-68(71-63-25-15-18-28-69(63)78-72(71)70(62)67)77(58-43-35-54(36-44-58)74(4,5)6)57-39-31-52(32-40-57)50-21-11-8-12-22-50/h7-31,33-48,52H,32H2,1-6H3.
What are the key properties of 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine has a molecular weight of 1007.33 g/mol, XLogP of 20.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is sourced from PubChem (CID 126632927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).