CID 89074849

C77H53N — CID 89074849

IUPAC—
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C77H53N/c1-75(2)72-47-50(38-43-63(72)64-45-42-55(49-73(64)75)78(53-21-5-3-6-22-53)54-23-7-4-8-24-54)37-39-51-40-44-57(58-26-10-9-25-56(51)58)52-41-46-71-74(48-52)77(67-33-17-13-29-61(67)62-30-14-18-34-68(62)77)70-36-20-19-35-69(70)76(71)65-31-15-11-27-59(65)60-28-12-16-32-66(60)76/h3-49H,1-2H3/b39-37+
InChIKeyOZLGHEWYMIJZOL-NHFVQZBWSA-N
MW992.28 g/mol
LogP19.49
Rot. Bonds6

About CID 89074849

CID 89074849 (PubChem CID 89074849) has the molecular formula C77H53N and a molecular weight of 992.28 g/mol.

Molecular Properties

Compound NameCID 89074849
PubChem CID89074849
Molecular FormulaC77H53N
Molecular Weight992.28 g/mol
Exact Mass991.42
IUPAC Name—
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C77H53N/c1-75(2)72-47-50(38-43-63(72)64-45-42-55(49-73(64)75)78(53-21-5-3-6-22-53)54-23-7-4-8-24-54)37-39-51-40-44-57(58-26-10-9-25-56(51)58)52-41-46-71-74(48-52)77(67-33-17-13-29-61(67)62-30-14-18-34-68(62)77)70-36-20-19-35-69(70)76(71)65-31-15-11-27-59(65)60-28-12-16-32-66(60)76/h3-49H,1-2H3/b39-37+
InChIKeyOZLGHEWYMIJZOL-NHFVQZBWSA-N
XLogP19.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.28
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-N,N-bis(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 59246573
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246065
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
CID 167176882
CID 167176882
7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068180
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855

Frequently Asked Questions

What is the IUPAC name of CID 89074849?
The IUPAC name of CID 89074849 (CID 89074849) is not available.
What is the SMILES notation for CID 89074849?
The canonical SMILES for CID 89074849 is CC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of CID 89074849?
The InChIKey is OZLGHEWYMIJZOL-NHFVQZBWSA-N. The full InChI is InChI=1S/C77H53N/c1-75(2)72-47-50(38-43-63(72)64-45-42-55(49-73(64)75)78(53-21-5-3-6-22-53)54-23-7-4-8-24-54)37-39-51-40-44-57(58-26-10-9-25-56(51)58)52-41-46-71-74(48-52)77(67-33-17-13-29-61(67)62-30-14-18-34-68(62)77)70-36-20-19-35-69(70)76(71)65-31-15-11-27-59(65)60-28-12-16-32-66(60)76/h3-49H,1-2H3/b39-37+.
What are the key properties of CID 89074849?
CID 89074849 has a molecular weight of 992.28 g/mol, XLogP of 19.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89074849 is sourced from PubChem (CID 89074849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).