9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine

C47H37NO — CID 118686585

IUPAC9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine
SMILESCC1CC(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC=C1C1(c2ccccc2)c2ccccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C47H37NO/c1-29-27-31(48-32-21-23-34-33-15-7-10-18-39(33)46(2,3)42(34)28-32)22-25-38(29)47(30-13-5-4-6-14-30)40-19-11-8-17-37(40)44-41(47)26-24-36-35-16-9-12-20-43(35)49-45(36)44/h4-26,28-29,48H,27H2,1-3H3
InChIKeyJKXSLWVIBVTWFO-UHFFFAOYSA-N
MW631.82 g/mol
LogP12.17
Rot. Bonds4

About 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine

9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine (PubChem CID 118686585) has the molecular formula C47H37NO and a molecular weight of 631.82 g/mol. Its IUPAC name is 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine
PubChem CID118686585
Molecular FormulaC47H37NO
Molecular Weight631.82 g/mol
Exact Mass631.29
IUPAC Name9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine
SMILESCC1CC(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC=C1C1(c2ccccc2)c2ccccc2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C47H37NO/c1-29-27-31(48-32-21-23-34-33-15-7-10-18-39(33)46(2,3)42(34)28-32)22-25-38(29)47(30-13-5-4-6-14-30)40-19-11-8-17-37(40)44-41(47)26-24-36-35-16-9-12-20-43(35)49-45(36)44/h4-26,28-29,48H,27H2,1-3H3
InChIKeyJKXSLWVIBVTWFO-UHFFFAOYSA-N
XLogP12.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.82
LogP ≤ 512.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
CID 122627133
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
CID 144856795
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022367
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
9-[9-benzyl-6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 144578369
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042
N-[9-(2-methylphenyl)-9-phenylfluoren-4-yl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 121444459
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
2-[4-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491019
N-[4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161068625

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine (CID 118686585) is 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine is CC1CC(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC=C1C1(c2ccccc2)c2ccccc2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine?
The InChIKey is JKXSLWVIBVTWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37NO/c1-29-27-31(48-32-21-23-34-33-15-7-10-18-39(33)46(2,3)42(34)28-32)22-25-38(29)47(30-13-5-4-6-14-30)40-19-11-8-17-37(40)44-41(47)26-24-36-35-16-9-12-20-43(35)49-45(36)44/h4-26,28-29,48H,27H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine?
9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine has a molecular weight of 631.82 g/mol, XLogP of 12.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[5-methyl-4-(7-phenylfluoreno[4,3-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]fluoren-2-amine is sourced from PubChem (CID 118686585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).