CID 89067260

C72H54N4 — CID 89067260

IUPAC—
SMILESCCC1(CC)c2cc(/C=C/C3=NCN=C(C4C=CC5=C(C4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)N3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H54N4/c1-3-70(4-2)63-41-45(33-37-52(63)53-38-36-47(43-64(53)70)76-66-31-17-9-23-54(66)55-24-10-18-32-67(55)76)34-40-68-73-44-74-69(75-68)46-35-39-62-65(42-46)72(58-27-13-7-21-50(58)51-22-8-14-28-59(51)72)61-30-16-15-29-60(61)71(62)56-25-11-5-19-48(56)49-20-6-12-26-57(49)71/h5-41,43,46H,3-4,42,44H2,1-2H3,(H,73,74,75)/b40-34+
InChIKeyNYDPXRSOGIECKL-QZQBIAJISA-N
MW975.25 g/mol
LogP16.46
Rot. Bonds6

About CID 89067260

CID 89067260 (PubChem CID 89067260) has the molecular formula C72H54N4 and a molecular weight of 975.25 g/mol.

Molecular Properties

Compound NameCID 89067260
PubChem CID89067260
Molecular FormulaC72H54N4
Molecular Weight975.25 g/mol
Exact Mass974.43
IUPAC Name—
SMILESCCC1(CC)c2cc(/C=C/C3=NCN=C(C4C=CC5=C(C4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)N3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H54N4/c1-3-70(4-2)63-41-45(33-37-52(63)53-38-36-47(43-64(53)70)76-66-31-17-9-23-54(66)55-24-10-18-32-67(55)76)34-40-68-73-44-74-69(75-68)46-35-39-62-65(42-46)72(58-27-13-7-21-50(58)51-22-8-14-28-59(51)72)61-30-16-15-29-60(61)71(62)56-25-11-5-19-48(56)49-20-6-12-26-57(49)71/h5-41,43,46H,3-4,42,44H2,1-2H3,(H,73,74,75)/b40-34+
InChIKeyNYDPXRSOGIECKL-QZQBIAJISA-N
XLogP16.46
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.25
LogP ≤ 516.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[9,9-diethyl-7-[(E)-2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)naphthalen-1-yl]ethenyl]fluoren-2-yl]carbazole
CID 89066747
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
9-[9,9-diethyl-7-[(E)-2-[5-(2,3,4,5-tetraphenylphenyl)-2-pyridinyl]ethenyl]fluoren-2-yl]carbazole
CID 89075112
9-[9,9-dimethyl-7-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]fluoren-2-yl]carbazole
CID 123223191
3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
CID 68542986
7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine
CID 90085884
9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236656
9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
CID 59236105
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-[4-[(E)-2-[7-[7-[7-[7-[7-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 164784808
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581
CID 134551673
CID 134551673

Frequently Asked Questions

What is the IUPAC name of CID 89067260?
The IUPAC name of CID 89067260 (CID 89067260) is not available.
What is the SMILES notation for CID 89067260?
The canonical SMILES for CID 89067260 is CCC1(CC)c2cc(/C=C/C3=NCN=C(C4C=CC5=C(C4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)N3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of CID 89067260?
The InChIKey is NYDPXRSOGIECKL-QZQBIAJISA-N. The full InChI is InChI=1S/C72H54N4/c1-3-70(4-2)63-41-45(33-37-52(63)53-38-36-47(43-64(53)70)76-66-31-17-9-23-54(66)55-24-10-18-32-67(55)76)34-40-68-73-44-74-69(75-68)46-35-39-62-65(42-46)72(58-27-13-7-21-50(58)51-22-8-14-28-59(51)72)61-30-16-15-29-60(61)71(62)56-25-11-5-19-48(56)49-20-6-12-26-57(49)71/h5-41,43,46H,3-4,42,44H2,1-2H3,(H,73,74,75)/b40-34+.
What are the key properties of CID 89067260?
CID 89067260 has a molecular weight of 975.25 g/mol, XLogP of 16.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89067260 is sourced from PubChem (CID 89067260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).