5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine

C75H63N3O — CID 168728813

IUPAC5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
SMILESCc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2OC2C=CC=CC12
InChIInChI=1S/C75H63N3O/c1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50/h8-47,62,68H,1-7H3
InChIKeyFTPMTOSCGUFHCQ-UHFFFAOYSA-N
MW1022.35 g/mol
LogP19.57
Rot. Bonds8

About 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine (PubChem CID 168728813) has the molecular formula C75H63N3O and a molecular weight of 1022.35 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
PubChem CID168728813
Molecular FormulaC75H63N3O
Molecular Weight1022.35 g/mol
Exact Mass1021.50
IUPAC Name5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
SMILESCc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2OC2C=CC=CC12
InChIInChI=1S/C75H63N3O/c1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50/h8-47,62,68H,1-7H3
InChIKeyFTPMTOSCGUFHCQ-UHFFFAOYSA-N
XLogP19.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.35
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine with MolForge

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Related Compounds

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
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine
CID 168728844
N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
CID 135277465
5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-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;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 158633808
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylpyrimidin-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156556722
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine (CID 168728813) is 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine is Cc1cnc2c(c1)-c1ccccc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2OC2C=CC=CC12.
What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?
The InChIKey is FTPMTOSCGUFHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H63N3O/c1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50/h8-47,62,68H,1-7H3.
What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine?
5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine has a molecular weight of 1022.35 g/mol, XLogP of 19.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine is sourced from PubChem (CID 168728813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).