N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine

C48H37NO — CID 176607730

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc21
InChIInChI=1S/C48H37NO/c1-47(2)39-20-10-8-16-34(39)36-26-24-31(28-41(36)47)49(32-25-27-37-35-17-9-11-21-40(35)48(3,4)42(37)29-32)43-22-13-23-44-45(43)38-19-12-18-33(46(38)50-44)30-14-6-5-7-15-30/h5-29H,1-4H3
InChIKeyHTDMQHRACUDFIV-UHFFFAOYSA-N
MW643.83 g/mol
LogP13.34
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine (PubChem CID 176607730) has the molecular formula C48H37NO and a molecular weight of 643.83 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
PubChem CID176607730
Molecular FormulaC48H37NO
Molecular Weight643.83 g/mol
Exact Mass643.29
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc21
InChIInChI=1S/C48H37NO/c1-47(2)39-20-10-8-16-34(39)36-26-24-31(28-41(36)47)49(32-25-27-37-35-17-9-11-21-40(35)48(3,4)42(37)29-32)43-22-13-23-44-45(43)38-19-12-18-33(46(38)50-44)30-14-6-5-7-15-30/h5-29H,1-4H3
InChIKeyHTDMQHRACUDFIV-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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050362
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320773
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-amine
CID 176607735
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
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
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine (CID 176607730) is N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5c(-c6ccccc6)cccc5c34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine?
The InChIKey is HTDMQHRACUDFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO/c1-47(2)39-20-10-8-16-34(39)36-26-24-31(28-41(36)47)49(32-25-27-37-35-17-9-11-21-40(35)48(3,4)42(37)29-32)43-22-13-23-44-45(43)38-19-12-18-33(46(38)50-44)30-14-6-5-7-15-30/h5-29H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-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,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176607730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).