CID 134551656

C78H46N6 — CID 134551656

IUPAC—
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3cc4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4cc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C78H46N6/c1-3-23-47(24-4-1)73-55-33-11-19-39-67(55)79-75(81-73)83-69-41-21-13-31-53(69)57-43-63-65(45-71(57)83)77(59-35-15-7-27-49(59)50-28-8-16-36-60(50)77)64-44-58-54-32-14-22-42-70(54)84(76-80-68-40-20-12-34-56(68)74(82-76)48-25-5-2-6-26-48)72(58)46-66(64)78(63)61-37-17-9-29-51(61)52-30-10-18-38-62(52)78/h1-46H
InChIKeyQRKWUGSMLIOEGT-UHFFFAOYSA-N
MW1067.27 g/mol
LogP18.14
Rot. Bonds4

About CID 134551656

CID 134551656 (PubChem CID 134551656) has the molecular formula C78H46N6 and a molecular weight of 1067.27 g/mol.

Molecular Properties

Compound NameCID 134551656
PubChem CID134551656
Molecular FormulaC78H46N6
Molecular Weight1067.27 g/mol
Exact Mass1066.38
IUPAC Name—
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3cc4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4cc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C78H46N6/c1-3-23-47(24-4-1)73-55-33-11-19-39-67(55)79-75(81-73)83-69-41-21-13-31-53(69)57-43-63-65(45-71(57)83)77(59-35-15-7-27-49(59)50-28-8-16-36-60(50)77)64-44-58-54-32-14-22-42-70(54)84(76-80-68-40-20-12-34-56(68)74(82-76)48-25-5-2-6-26-48)72(58)46-66(64)78(63)61-37-17-9-29-51(61)52-30-10-18-38-62(52)78/h1-46H
InChIKeyQRKWUGSMLIOEGT-UHFFFAOYSA-N
XLogP18.14
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.27
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
CID 129133161
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
CID 162258827
CID 162258827
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
CID 160619323
CID 160619323
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
12,12,13,13-tetramethyl-17-(4-phenylquinazolin-2-yl)-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene
CID 163755346
1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
CID 145257445
12,12-dimethyl-22-(4-phenylquinazolin-2-yl)-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122464936
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854

Frequently Asked Questions

What is the IUPAC name of CID 134551656?
The IUPAC name of CID 134551656 (CID 134551656) is not available.
What is the SMILES notation for CID 134551656?
The canonical SMILES for CID 134551656 is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3cc4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4cc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of CID 134551656?
The InChIKey is QRKWUGSMLIOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N6/c1-3-23-47(24-4-1)73-55-33-11-19-39-67(55)79-75(81-73)83-69-41-21-13-31-53(69)57-43-63-65(45-71(57)83)77(59-35-15-7-27-49(59)50-28-8-16-36-60(50)77)64-44-58-54-32-14-22-42-70(54)84(76-80-68-40-20-12-34-56(68)74(82-76)48-25-5-2-6-26-48)72(58)46-66(64)78(63)61-37-17-9-29-51(61)52-30-10-18-38-62(52)78/h1-46H.
What are the key properties of CID 134551656?
CID 134551656 has a molecular weight of 1067.27 g/mol, XLogP of 18.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551656 is sourced from PubChem (CID 134551656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).