CID 134272927

C76H52N4 — CID 134272927

IUPAC—
SMILESCc1ccc2c(c1)C1(C3=C(c4ccc(N(c5cccnc5)c5ccccc5-c5ccccc5)cc41)C1(c4cc(N(c5cccnc5)c5ccccc5-c5ccccc5)ccc43)c3ccccc3-c3ccc(C)cc31)c1ccccc1-2
InChIInChI=1S/C76H52N4/c1-49-33-37-61-59-27-9-13-29-65(59)75(67(61)43-49)69-45-53(79(55-23-17-41-77-47-55)71-31-15-11-25-57(71)51-19-5-3-6-20-51)35-39-63(69)74-73(75)64-40-36-54(46-70(64)76(74)66-30-14-10-28-60(66)62-38-34-50(2)44-68(62)76)80(56-24-18-42-78-48-56)72-32-16-12-26-58(72)52-21-7-4-8-22-52/h3-48H,1-2H3
InChIKeyNCCPDAQGIXBVDT-UHFFFAOYSA-N
MW1021.28 g/mol
LogP18.93
Rot. Bonds8

About CID 134272927

CID 134272927 (PubChem CID 134272927) has the molecular formula C76H52N4 and a molecular weight of 1021.28 g/mol.

Molecular Properties

Compound NameCID 134272927
PubChem CID134272927
Molecular FormulaC76H52N4
Molecular Weight1021.28 g/mol
Exact Mass1020.42
IUPAC Name—
SMILESCc1ccc2c(c1)C1(C3=C(c4ccc(N(c5cccnc5)c5ccccc5-c5ccccc5)cc41)C1(c4cc(N(c5cccnc5)c5ccccc5-c5ccccc5)ccc43)c3ccccc3-c3ccc(C)cc31)c1ccccc1-2
InChIInChI=1S/C76H52N4/c1-49-33-37-61-59-27-9-13-29-65(59)75(67(61)43-49)69-45-53(79(55-23-17-41-77-47-55)71-31-15-11-25-57(71)51-19-5-3-6-20-51)35-39-63(69)74-73(75)64-40-36-54(46-70(64)76(74)66-30-14-10-28-60(66)62-38-34-50(2)44-68(62)76)80(56-24-18-42-78-48-56)72-32-16-12-26-58(72)52-21-7-4-8-22-52/h3-48H,1-2H3
InChIKeyNCCPDAQGIXBVDT-UHFFFAOYSA-N
XLogP18.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.28
LogP ≤ 518.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 134272876
CID 134272876
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784257
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162054053
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
CID 160845132
N,N-bis(2-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664728

Frequently Asked Questions

What is the IUPAC name of CID 134272927?
The IUPAC name of CID 134272927 (CID 134272927) is not available.
What is the SMILES notation for CID 134272927?
The canonical SMILES for CID 134272927 is Cc1ccc2c(c1)C1(C3=C(c4ccc(N(c5cccnc5)c5ccccc5-c5ccccc5)cc41)C1(c4cc(N(c5cccnc5)c5ccccc5-c5ccccc5)ccc43)c3ccccc3-c3ccc(C)cc31)c1ccccc1-2.
What is the InChIKey of CID 134272927?
The InChIKey is NCCPDAQGIXBVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N4/c1-49-33-37-61-59-27-9-13-29-65(59)75(67(61)43-49)69-45-53(79(55-23-17-41-77-47-55)71-31-15-11-25-57(71)51-19-5-3-6-20-51)35-39-63(69)74-73(75)64-40-36-54(46-70(64)76(74)66-30-14-10-28-60(66)62-38-34-50(2)44-68(62)76)80(56-24-18-42-78-48-56)72-32-16-12-26-58(72)52-21-7-4-8-22-52/h3-48H,1-2H3.
What are the key properties of CID 134272927?
CID 134272927 has a molecular weight of 1021.28 g/mol, XLogP of 18.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134272927 is sourced from PubChem (CID 134272927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).