CID 134272876

C76H50N2 — CID 134272876

IUPAC—
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(C4=C3C3(c5cc(N(c6ccccc6)c6ccccc6-c6ccccc6)ccc54)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C76H50N2/c1-5-25-51(26-6-1)57-33-17-23-43-71(57)77(53-29-9-3-10-30-53)55-45-47-63-69(49-55)75(65-39-19-13-35-59(65)60-36-14-20-40-66(60)75)74-64-48-46-56(50-70(64)76(73(63)74)67-41-21-15-37-61(67)62-38-16-22-42-68(62)76)78(54-31-11-4-12-32-54)72-44-24-18-34-58(72)52-27-7-2-8-28-52/h1-50H
InChIKeyWATLSNRUVULERU-UHFFFAOYSA-N
MW991.25 g/mol
LogP19.53
Rot. Bonds8

About CID 134272876

CID 134272876 (PubChem CID 134272876) has the molecular formula C76H50N2 and a molecular weight of 991.25 g/mol.

Molecular Properties

Compound NameCID 134272876
PubChem CID134272876
Molecular FormulaC76H50N2
Molecular Weight991.25 g/mol
Exact Mass990.40
IUPAC Name—
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(C4=C3C3(c5cc(N(c6ccccc6)c6ccccc6-c6ccccc6)ccc54)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C76H50N2/c1-5-25-51(26-6-1)57-33-17-23-43-71(57)77(53-29-9-3-10-30-53)55-45-47-63-69(49-55)75(65-39-19-13-35-59(65)60-36-14-20-40-66(60)75)74-64-48-46-56(50-70(64)76(73(63)74)67-41-21-15-37-61(67)62-38-16-22-42-68(62)76)78(54-31-11-4-12-32-54)72-44-24-18-34-58(72)52-27-7-2-8-28-52/h1-50H
InChIKeyWATLSNRUVULERU-UHFFFAOYSA-N
XLogP19.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.25
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
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
CID 134272927
CID 134272927
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
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735

Frequently Asked Questions

What is the IUPAC name of CID 134272876?
The IUPAC name of CID 134272876 (CID 134272876) is not available.
What is the SMILES notation for CID 134272876?
The canonical SMILES for CID 134272876 is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(C4=C3C3(c5cc(N(c6ccccc6)c6ccccc6-c6ccccc6)ccc54)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 134272876?
The InChIKey is WATLSNRUVULERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2/c1-5-25-51(26-6-1)57-33-17-23-43-71(57)77(53-29-9-3-10-30-53)55-45-47-63-69(49-55)75(65-39-19-13-35-59(65)60-36-14-20-40-66(60)75)74-64-48-46-56(50-70(64)76(73(63)74)67-41-21-15-37-61(67)62-38-16-22-42-68(62)76)78(54-31-11-4-12-32-54)72-44-24-18-34-58(72)52-27-7-2-8-28-52/h1-50H.
What are the key properties of CID 134272876?
CID 134272876 has a molecular weight of 991.25 g/mol, XLogP of 19.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134272876 is sourced from PubChem (CID 134272876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).