N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine

C48H37NO — CID 134393187

IUPACN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6c(ccc5c34)-c3ccccc3C6(C)C)cc21
InChIInChI=1S/C48H37NO/c1-47(2)39-17-10-8-15-34(39)36-26-25-33(29-41(36)47)49(32-23-21-31(22-24-32)30-13-6-5-7-14-30)42-19-12-20-43-44(42)38-28-27-37-35-16-9-11-18-40(35)48(3,4)45(37)46(38)50-43/h5-29H,1-4H3
InChIKeyRDXHFKLULICEIS-UHFFFAOYSA-N
MW643.83 g/mol
LogP13.34
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine

N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine (PubChem CID 134393187) has the molecular formula C48H37NO and a molecular weight of 643.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
PubChem CID134393187
Molecular FormulaC48H37NO
Molecular Weight643.83 g/mol
Exact Mass643.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6c(ccc5c34)-c3ccccc3C6(C)C)cc21
InChIInChI=1S/C48H37NO/c1-47(2)39-17-10-8-15-34(39)36-26-25-33(29-41(36)47)49(32-23-21-31(22-24-32)30-13-6-5-7-14-30)42-19-12-20-43-44(42)38-28-27-37-35-16-9-11-18-40(35)48(3,4)45(37)46(38)50-43/h5-29H,1-4H3
InChIKeyRDXHFKLULICEIS-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N,12-bis(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 163616833
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 158540927
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 148507148
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
9,9-dimethyl-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine (CID 134393187) is N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6c(ccc5c34)-c3ccccc3C6(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine?
The InChIKey is RDXHFKLULICEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO/c1-47(2)39-17-10-8-15-34(39)36-26-25-33(29-41(36)47)49(32-23-21-31(22-24-32)30-13-6-5-7-14-30)42-19-12-20-43-44(42)38-28-27-37-35-16-9-11-18-40(35)48(3,4)45(37)46(38)50-43/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine?
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine has a molecular weight of 643.83 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 134393187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).