N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

C44H35NO — CID 144907086

IUPACN-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
SMILESC=Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccc4c(oc5ccccc54)c2-3)c1/C=C\C
InChIInChI=1S/C44H35NO/c1-5-13-34-29(6-2)16-12-18-40(34)45(32-22-20-31(21-23-32)30-14-8-7-9-15-30)33-24-25-37-39(28-33)44(3,4)38-27-26-36-35-17-10-11-19-41(35)46-43(36)42(37)38/h5-28H,2H2,1,3-4H3/b13-5-
InChIKeyNOUGZBBLLXUSIK-ACAGNQJTSA-N
MW593.77 g/mol
LogP12.71
Rot. Bonds6

About N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 144907086) has the molecular formula C44H35NO and a molecular weight of 593.77 g/mol. Its IUPAC name is N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
PubChem CID144907086
Molecular FormulaC44H35NO
Molecular Weight593.77 g/mol
Exact Mass593.27
IUPAC NameN-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
SMILESC=Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccc4c(oc5ccccc54)c2-3)c1/C=C\C
InChIInChI=1S/C44H35NO/c1-5-13-34-29(6-2)16-12-18-40(34)45(32-22-20-31(21-23-32)30-14-8-7-9-15-30)33-24-25-37-39(28-33)44(3,4)38-27-26-36-35-17-10-11-19-41(35)46-43(36)42(37)38/h5-28H,2H2,1,3-4H3/b13-5-
InChIKeyNOUGZBBLLXUSIK-ACAGNQJTSA-N
XLogP12.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
N-(9,9-dimethylfluoren-2-yl)-N-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
CID 144907267
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
15,15,25,25-tetramethyl-N-(2-phenylphenyl)-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088668
7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 161155666
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-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
3-[(1Z)-buta-1,3-dienyl]-2,6,6-trimethyl-N,N-bis(4-phenylphenyl)indeno[2,1-g][1]benzofuran-8-amine
CID 87689648
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 170353074

Frequently Asked Questions

What is the IUPAC name of N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The IUPAC name of N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (CID 144907086) is N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The canonical SMILES for N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is C=Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccc4c(oc5ccccc54)c2-3)c1/C=C\C.
What is the InChIKey of N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The InChIKey is NOUGZBBLLXUSIK-ACAGNQJTSA-N. The full InChI is InChI=1S/C44H35NO/c1-5-13-34-29(6-2)16-12-18-40(34)45(32-22-20-31(21-23-32)30-14-8-7-9-15-30)33-24-25-37-39(28-33)44(3,4)38-27-26-36-35-17-10-11-19-41(35)46-43(36)42(37)38/h5-28H,2H2,1,3-4H3/b13-5-.
What are the key properties of N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 593.77 g/mol, XLogP of 12.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 144907086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).