10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran

C50H36O — CID 174309490

IUPAC10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(/C=C/Cc4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cccc21
InChIInChI=1S/C50H36O/c1-50(2)44-16-8-15-40(48(44)42-29-37-12-3-4-13-38(37)31-45(42)50)36-23-19-33(20-24-36)10-7-9-32-17-21-34(22-18-32)39-26-27-46-43(30-39)49-41-14-6-5-11-35(41)25-28-47(49)51-46/h3-8,10-31H,9H2,1-2H3/b10-7+
InChIKeyNEVUTSPVZAQCTI-JXMROGBWSA-N
MW652.84 g/mol
LogP13.79
Rot. Bonds5

About 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran

10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 174309490) has the molecular formula C50H36O and a molecular weight of 652.84 g/mol. Its IUPAC name is 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID174309490
Molecular FormulaC50H36O
Molecular Weight652.84 g/mol
Exact Mass652.28
IUPAC Name10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(/C=C/Cc4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cccc21
InChIInChI=1S/C50H36O/c1-50(2)44-16-8-15-40(48(44)42-29-37-12-3-4-13-38(37)31-45(42)50)36-23-19-33(20-24-36)10-7-9-32-17-21-34(22-18-32)39-26-27-46-43(30-39)49-41-14-6-5-11-35(41)25-28-47(49)51-46/h3-8,10-31H,9H2,1-2H3/b10-7+
InChIKeyNEVUTSPVZAQCTI-JXMROGBWSA-N
XLogP13.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176795349
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176793675
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine
CID 176795030
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174309497
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-(2-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176794603
10-[10-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 121430809
N'-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-1-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)prop-2-enyl]-1-phenylmethanediamine
CID 174309585
10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 121421240
2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421272
(Z)-N-benzyl-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)prop-1-en-1-amine
CID 174308587
17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 158872107
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794241

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran (CID 174309490) is 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(/C=C/Cc4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cccc21.
What is the InChIKey of 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is NEVUTSPVZAQCTI-JXMROGBWSA-N. The full InChI is InChI=1S/C50H36O/c1-50(2)44-16-8-15-40(48(44)42-29-37-12-3-4-13-38(37)31-45(42)50)36-23-19-33(20-24-36)10-7-9-32-17-21-34(22-18-32)39-26-27-46-43(30-39)49-41-14-6-5-11-35(41)25-28-47(49)51-46/h3-8,10-31H,9H2,1-2H3/b10-7+.
What are the key properties of 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran?
10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 652.84 g/mol, XLogP of 13.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(E)-3-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 174309490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).