CID 170521764

C74H50N10 — CID 170521764

IUPAC—
SMILESCc1cccc2c3cccc(C)c3n(-c3nc4cc(n3)-c3ccccc3-c3cc(nc(-n5c6c(C)cccc6c6cccc(C)c65)n3)-c3ccccc3-[n+]3[c-]n(c5ccccc53)-c3ccccc3-n3[c-][n+](c5ccccc53)-c3cccc-4c3)c12
InChIInChI=1S/C74H50N10/c1-45-20-15-29-53-54-30-16-21-46(2)70(54)83(69(45)53)73-75-58-41-59(76-73)51-26-5-6-27-52(51)60-42-61(78-74(77-60)84-71-47(3)22-17-31-55(71)56-32-18-23-48(4)72(56)84)57-28-7-8-33-62(57)80-44-82(66-37-12-11-36-65(66)80)68-39-14-13-38-67(68)81-43-79(50-25-19-24-49(58)40-50)63-34-9-10-35-64(63)81/h5-42H,1-4H3
InChIKeyIPRIGPRDIKGHBL-UHFFFAOYSA-N
MW1079.28 g/mol
LogP15.72
Rot. Bonds2

About CID 170521764

CID 170521764 (PubChem CID 170521764) has the molecular formula C74H50N10 and a molecular weight of 1079.28 g/mol.

Molecular Properties

Compound NameCID 170521764
PubChem CID170521764
Molecular FormulaC74H50N10
Molecular Weight1079.28 g/mol
Exact Mass1078.42
IUPAC Name—
SMILESCc1cccc2c3cccc(C)c3n(-c3nc4cc(n3)-c3ccccc3-c3cc(nc(-n5c6c(C)cccc6c6cccc(C)c65)n3)-c3ccccc3-[n+]3[c-]n(c5ccccc53)-c3ccccc3-n3[c-][n+](c5ccccc53)-c3cccc-4c3)c12
InChIInChI=1S/C74H50N10/c1-45-20-15-29-53-54-30-16-21-46(2)70(54)83(69(45)53)73-75-58-41-59(76-73)51-26-5-6-27-52(51)60-42-61(78-74(77-60)84-71-47(3)22-17-31-55(71)56-32-18-23-48(4)72(56)84)57-28-7-8-33-62(57)80-44-82(66-37-12-11-36-65(66)80)68-39-14-13-38-67(68)81-43-79(50-25-19-24-49(58)40-50)63-34-9-10-35-64(63)81/h5-42H,1-4H3
InChIKeyIPRIGPRDIKGHBL-UHFFFAOYSA-N
XLogP15.72
TPSA79.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.28
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)-2-pyridinyl]phenyl]phenol
CID 168730622
5-[9-(4,6-diphenylpyrimidin-2-yl)-8-(1-methylcarbazol-9-yl)carbazol-3-yl]-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1-triphenylen-2-ylcarbazole
CID 138623574
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
9-(4-tert-butyl-6-phenyl-2-pyridinyl)-3-carbazol-9-yl-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]carbazole
CID 166564498
9-phenyl-1-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)carbazole
CID 154594943
2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)
CID 168730623
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
9-[2-[6-(2-carbazol-9-ylphenyl)-2-methylpyrimidin-4-yl]phenyl]carbazole
CID 138393255
1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149343
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine
CID 134236708

Frequently Asked Questions

What is the IUPAC name of CID 170521764?
The IUPAC name of CID 170521764 (CID 170521764) is not available.
What is the SMILES notation for CID 170521764?
The canonical SMILES for CID 170521764 is Cc1cccc2c3cccc(C)c3n(-c3nc4cc(n3)-c3ccccc3-c3cc(nc(-n5c6c(C)cccc6c6cccc(C)c65)n3)-c3ccccc3-[n+]3[c-]n(c5ccccc53)-c3ccccc3-n3[c-][n+](c5ccccc53)-c3cccc-4c3)c12.
What is the InChIKey of CID 170521764?
The InChIKey is IPRIGPRDIKGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N10/c1-45-20-15-29-53-54-30-16-21-46(2)70(54)83(69(45)53)73-75-58-41-59(76-73)51-26-5-6-27-52(51)60-42-61(78-74(77-60)84-71-47(3)22-17-31-55(71)56-32-18-23-48(4)72(56)84)57-28-7-8-33-62(57)80-44-82(66-37-12-11-36-65(66)80)68-39-14-13-38-67(68)81-43-79(50-25-19-24-49(58)40-50)63-34-9-10-35-64(63)81/h5-42H,1-4H3.
What are the key properties of CID 170521764?
CID 170521764 has a molecular weight of 1079.28 g/mol, XLogP of 15.72, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170521764 is sourced from PubChem (CID 170521764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).