N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine

C43H31NO — CID 118486910

IUPACN,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine
SMILESC1=C2c3c(ccc4c3oc3ccccc34)C(c3ccccc3)(c3ccccc3)C2CC(N(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C43H31NO/c1-5-15-30(16-6-1)43(31-17-7-2-8-18-31)38-28-27-36-35-23-13-14-24-40(35)45-42(36)41(38)37-26-25-34(29-39(37)43)44(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-28,39H,29H2
InChIKeyBWMCYUZFDSXGFC-UHFFFAOYSA-N
MW577.73 g/mol
LogP11.06
Rot. Bonds5

About N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine

N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 118486910) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine
PubChem CID118486910
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC NameN,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine
SMILESC1=C2c3c(ccc4c3oc3ccccc34)C(c3ccccc3)(c3ccccc3)C2CC(N(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C43H31NO/c1-5-15-30(16-6-1)43(31-17-7-2-8-18-31)38-28-27-36-35-23-13-14-24-40(35)45-42(36)41(38)37-26-25-34(29-39(37)43)44(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-28,39H,29H2
InChIKeyBWMCYUZFDSXGFC-UHFFFAOYSA-N
XLogP11.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine
CID 144705202
15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 121477118
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
16-N,16-N,41-N,41-N-tetraphenyl-18,25,32,39-tetraoxanonacyclo[28.12.0.02,7.08,13.014,27.017,26.019,24.031,40.033,38]dotetraconta-1(42),2,4,6,8,10,12,14,16,19,21,23,26,28,30,33,35,37,40-nonadecaene-16,41-diamine
CID 142304435
2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 154592854
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
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
5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 118004741

Frequently Asked Questions

What is the IUPAC name of N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine?
The IUPAC name of N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine (CID 118486910) is N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine.
What is the SMILES notation for N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine?
The canonical SMILES for N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine is C1=C2c3c(ccc4c3oc3ccccc34)C(c3ccccc3)(c3ccccc3)C2CC(N(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine?
The InChIKey is BWMCYUZFDSXGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-5-15-30(16-6-1)43(31-17-7-2-8-18-31)38-28-27-36-35-23-13-14-24-40(35)45-42(36)41(38)37-26-25-34(29-39(37)43)44(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-28,39H,29H2.
What are the key properties of N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine?
N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 577.73 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 118486910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).