CID 134551696

C56H35N — CID 134551696

IUPAC—
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C56H35N/c1-2-16-36(17-3-1)37-30-32-38(33-31-37)57-51-29-15-7-21-42(51)54-52(57)35-34-50-53(54)41-20-6-10-24-45(41)56(50)48-27-13-11-25-46(48)55(47-26-12-14-28-49(47)56)43-22-8-4-18-39(43)40-19-5-9-23-44(40)55/h1-35H
InChIKeyWUQQHXQZZNTSNG-UHFFFAOYSA-N
MW721.90 g/mol
LogP13.49
Rot. Bonds2

About CID 134551696

CID 134551696 (PubChem CID 134551696) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol.

Molecular Properties

Compound NameCID 134551696
PubChem CID134551696
Molecular FormulaC56H35N
Molecular Weight721.90 g/mol
Exact Mass721.28
IUPAC Name—
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C56H35N/c1-2-16-36(17-3-1)37-30-32-38(33-31-37)57-51-29-15-7-21-42(51)54-52(57)35-34-50-53(54)41-20-6-10-24-45(41)56(50)48-27-13-11-25-46(48)55(47-26-12-14-28-49(47)56)43-22-8-4-18-39(43)40-19-5-9-23-44(40)55/h1-35H
InChIKeyWUQQHXQZZNTSNG-UHFFFAOYSA-N
XLogP13.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)spiro[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'-acridine]
CID 118104005
14,14-diphenyl-9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161419059
9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[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]
CID 169014201
14-[4-(4-carbazol-9-ylphenyl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-[4-(3,6-diphenylcarbazol-9-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 158277667
CID 134551695
CID 134551695
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 139407394
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,10'-anthracene]
CID 163786674
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-5-(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]fluoren-2-amine
CID 167117932
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[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]
CID 156560261
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621

Frequently Asked Questions

What is the IUPAC name of CID 134551696?
The IUPAC name of CID 134551696 (CID 134551696) is not available.
What is the SMILES notation for CID 134551696?
The canonical SMILES for CID 134551696 is c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4-5)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 134551696?
The InChIKey is WUQQHXQZZNTSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-2-16-36(17-3-1)37-30-32-38(33-31-37)57-51-29-15-7-21-42(51)54-52(57)35-34-50-53(54)41-20-6-10-24-45(41)56(50)48-27-13-11-25-46(48)55(47-26-12-14-28-49(47)56)43-22-8-4-18-39(43)40-19-5-9-23-44(40)55/h1-35H.
What are the key properties of CID 134551696?
CID 134551696 has a molecular weight of 721.90 g/mol, XLogP of 13.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551696 is sourced from PubChem (CID 134551696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).