9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine

C63H42N4 — CID 163970160

IUPAC9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N7c8ccccc8C(c8ccccc8)(c8ccccc8)c8ccccc87)cc6)ccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C63H42N4/c1-4-18-44(19-5-1)61-52-25-10-14-28-56(52)64-62(65-61)45-34-39-49(40-35-45)66-57-29-15-11-24-51(57)53-42-46(36-41-58(53)66)43-32-37-50(38-33-43)67-59-30-16-12-26-54(59)63(47-20-6-2-7-21-47,48-22-8-3-9-23-48)55-27-13-17-31-60(55)67/h1-42H
InChIKeySPHZAZDMNLVAFW-UHFFFAOYSA-N
MW855.06 g/mol
LogP15.89
Rot. Bonds7

About 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine

9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine (PubChem CID 163970160) has the molecular formula C63H42N4 and a molecular weight of 855.06 g/mol. Its IUPAC name is 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine.

Molecular Properties

Compound Name9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
PubChem CID163970160
Molecular FormulaC63H42N4
Molecular Weight855.06 g/mol
Exact Mass854.34
IUPAC Name9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N7c8ccccc8C(c8ccccc8)(c8ccccc8)c8ccccc87)cc6)ccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C63H42N4/c1-4-18-44(19-5-1)61-52-25-10-14-28-56(52)64-62(65-61)45-34-39-49(40-35-45)66-57-29-15-11-24-51(57)53-42-46(36-41-58(53)66)43-32-37-50(38-33-43)67-59-30-16-12-26-54(59)63(47-20-6-2-7-21-47,48-22-8-3-9-23-48)55-27-13-17-31-60(55)67/h1-42H
InChIKeySPHZAZDMNLVAFW-UHFFFAOYSA-N
XLogP15.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.06
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
16-(4,6-diphenylpyrimidin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-bis(4-methylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 157318121
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,21-triphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804869

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine?
The IUPAC name of 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine (CID 163970160) is 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine.
What is the SMILES notation for 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine?
The canonical SMILES for 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N7c8ccccc8C(c8ccccc8)(c8ccccc8)c8ccccc87)cc6)ccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine?
The InChIKey is SPHZAZDMNLVAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4/c1-4-18-44(19-5-1)61-52-25-10-14-28-56(52)64-62(65-61)45-34-39-49(40-35-45)66-57-29-15-11-24-51(57)53-42-46(36-41-58(53)66)43-32-37-50(38-33-43)67-59-30-16-12-26-54(59)63(47-20-6-2-7-21-47,48-22-8-3-9-23-48)55-27-13-17-31-60(55)67/h1-42H.
What are the key properties of 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine?
9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine has a molecular weight of 855.06 g/mol, XLogP of 15.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine is sourced from PubChem (CID 163970160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).