N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine

C52H39NO — CID 169280861

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)c4c5ccccc5oc4c4ccccc34)cc21
InChIInChI=1S/C52H39NO/c1-51(2)42-23-13-10-18-35(42)37-28-26-33(30-44(37)51)53(34-27-29-38-36-19-11-14-24-43(36)52(3,4)45(38)31-34)49-39-20-8-9-21-40(39)50-48(41-22-12-15-25-46(41)54-50)47(49)32-16-6-5-7-17-32/h5-31H,1-4H3
InChIKeyAUJVMRURFWYVPH-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.49
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 169280861) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID169280861
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)c4c5ccccc5oc4c4ccccc34)cc21
InChIInChI=1S/C52H39NO/c1-51(2)42-23-13-10-18-35(42)37-28-26-33(30-44(37)51)53(34-27-29-38-36-19-11-14-24-43(36)52(3,4)45(38)31-34)49-39-20-8-9-21-40(39)50-48(41-22-12-15-25-46(41)54-50)47(49)32-16-6-5-7-17-32/h5-31H,1-4H3
InChIKeyAUJVMRURFWYVPH-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 169280862
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-N-(2,6-diphenylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801669
5-N,5-N,9-N,9-N-tetrakis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523096
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433310
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536283
12-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[12-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl]-15,15,25,25-tetramethyl-N-(2-phenylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088747
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 169280861) is N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)c4c5ccccc5oc4c4ccccc34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is AUJVMRURFWYVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-51(2)42-23-13-10-18-35(42)37-28-26-33(30-44(37)51)53(34-27-29-38-36-19-11-14-24-43(36)52(3,4)45(38)31-34)49-39-20-8-9-21-40(39)50-48(41-22-12-15-25-46(41)54-50)47(49)32-16-6-5-7-17-32/h5-31H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 693.89 g/mol, XLogP of 14.49, 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-phenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 169280861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).