2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine

C72H51N3O2 — CID 153369115

IUPAC2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC=C/C(=C\C=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc(=C/C)/c(=C(\C=C)c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)c5c4)cc3)cc21
InChIInChI=1S/C72H51N3O2/c1-5-9-23-53(6-2)72(54-24-14-11-15-25-54)61-29-18-16-26-56(61)57-42-40-52(45-62(57)72)49-34-32-48(33-35-49)51-41-43-65-60(44-51)67(63(8-4)76-65)55(7-3)70-73-69(50-38-36-47(37-39-50)46-21-12-10-13-22-46)74-71(75-70)59-28-20-31-66-68(59)58-27-17-19-30-64(58)77-66/h5-45H,2-3H2,1,4H3/b9-5-,53-23+,63-8+,67-55+
InChIKeyDOOMXIJQIZWAHI-XPXOVIMWSA-N
MW990.22 g/mol
LogP17.04
Rot. Bonds11

About 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 153369115) has the molecular formula C72H51N3O2 and a molecular weight of 990.22 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID153369115
Molecular FormulaC72H51N3O2
Molecular Weight990.22 g/mol
Exact Mass989.40
IUPAC Name2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC=C/C(=C\C=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc(=C/C)/c(=C(\C=C)c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)c5c4)cc3)cc21
InChIInChI=1S/C72H51N3O2/c1-5-9-23-53(6-2)72(54-24-14-11-15-25-54)61-29-18-16-26-56(61)57-42-40-52(45-62(57)72)49-34-32-48(33-35-49)51-41-43-65-60(44-51)67(63(8-4)76-65)55(7-3)70-73-69(50-38-36-47(37-39-50)46-21-12-10-13-22-46)74-71(75-70)59-28-20-31-66-68(59)58-27-17-19-30-64(58)77-66/h5-45H,2-3H2,1,4H3/b9-5-,53-23+,63-8+,67-55+
InChIKeyDOOMXIJQIZWAHI-XPXOVIMWSA-N
XLogP17.04
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.22
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156642996
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734578
2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146649061
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003091
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)-1,3,5-triazine
CID 163495186

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 153369115) is 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine is C=C/C(=C\C=C/C)C1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc(=C/C)/c(=C(\C=C)c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)c5c4)cc3)cc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DOOMXIJQIZWAHI-XPXOVIMWSA-N. The full InChI is InChI=1S/C72H51N3O2/c1-5-9-23-53(6-2)72(54-24-14-11-15-25-54)61-29-18-16-26-56(61)57-42-40-52(45-62(57)72)49-34-32-48(33-35-49)51-41-43-65-60(44-51)67(63(8-4)76-65)55(7-3)70-73-69(50-38-36-47(37-39-50)46-21-12-10-13-22-46)74-71(75-70)59-28-20-31-66-68(59)58-27-17-19-30-64(58)77-66/h5-45H,2-3H2,1,4H3/b9-5-,53-23+,63-8+,67-55+.
What are the key properties of 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 990.22 g/mol, XLogP of 17.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153369115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).