CID 134551885

C66H42N2 — CID 134551885

IUPAC—
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccc5ccccc5c4c4ccc5c(c43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C66H42N2/c1-3-20-44(21-4-1)67(45-22-5-2-6-23-45)46-36-38-47(39-37-46)68-61-42-35-43-19-7-8-24-48(43)62(61)52-40-41-60-63(64(52)68)51-27-11-14-30-55(51)66(60)58-33-17-15-31-56(58)65(57-32-16-18-34-59(57)66)53-28-12-9-25-49(53)50-26-10-13-29-54(50)65/h1-42H
InChIKeyZAPXFJSKYBUQMD-UHFFFAOYSA-N
MW863.08 g/mol
LogP16.45
Rot. Bonds4

About CID 134551885

CID 134551885 (PubChem CID 134551885) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol.

Molecular Properties

Compound NameCID 134551885
PubChem CID134551885
Molecular FormulaC66H42N2
Molecular Weight863.08 g/mol
Exact Mass862.33
IUPAC Name—
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccc5ccccc5c4c4ccc5c(c43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C66H42N2/c1-3-20-44(21-4-1)67(45-22-5-2-6-23-45)46-36-38-47(39-37-46)68-61-42-35-43-19-7-8-24-48(43)62(61)52-40-41-60-63(64(52)68)51-27-11-14-30-55(51)66(60)58-33-17-15-31-56(58)65(57-32-16-18-34-59(57)66)53-28-12-9-25-49(53)50-26-10-13-29-54(50)65/h1-42H
InChIKeyZAPXFJSKYBUQMD-UHFFFAOYSA-N
XLogP16.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 134551739
CID 134551739
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
CID 171418926
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-11-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]carbazol-9-amine
CID 171418918
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
CID 167118107
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
2-[7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-diphenylaniline
CID 159485545
3-N',3-N',5-N-triphenyl-5-N-(9-phenylcarbazol-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',5-diamine
CID 168774949

Frequently Asked Questions

What is the IUPAC name of CID 134551885?
The IUPAC name of CID 134551885 (CID 134551885) is not available.
What is the SMILES notation for CID 134551885?
The canonical SMILES for CID 134551885 is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccc5ccccc5c4c4ccc5c(c43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 134551885?
The InChIKey is ZAPXFJSKYBUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2/c1-3-20-44(21-4-1)67(45-22-5-2-6-23-45)46-36-38-47(39-37-46)68-61-42-35-43-19-7-8-24-48(43)62(61)52-40-41-60-63(64(52)68)51-27-11-14-30-55(51)66(60)58-33-17-15-31-56(58)65(57-32-16-18-34-59(57)66)53-28-12-9-25-49(53)50-26-10-13-29-54(50)65/h1-42H.
What are the key properties of CID 134551885?
CID 134551885 has a molecular weight of 863.08 g/mol, XLogP of 16.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551885 is sourced from PubChem (CID 134551885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).