3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole

C50H33FN4 — CID 136631150

IUPAC3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5=Nc6ccccc6C(c6ccccc6)N5)cc4)ccc32)cc1
InChIInChI=1S/C50H33FN4/c51-36-22-26-38(27-23-36)55-46-17-9-6-13-40(46)43-31-35(21-29-48(43)55)34-20-28-47-42(30-34)39-12-5-8-16-45(39)54(47)37-24-18-33(19-25-37)50-52-44-15-7-4-14-41(44)49(53-50)32-10-2-1-3-11-32/h1-31,49H,(H,52,53)
InChIKeyUIYVRVNYSLVREA-UHFFFAOYSA-N
MW708.84 g/mol
LogP12.46
Rot. Bonds5

About 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole

3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole (PubChem CID 136631150) has the molecular formula C50H33FN4 and a molecular weight of 708.84 g/mol. Its IUPAC name is 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
PubChem CID136631150
Molecular FormulaC50H33FN4
Molecular Weight708.84 g/mol
Exact Mass708.27
IUPAC Name3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5=Nc6ccccc6C(c6ccccc6)N5)cc4)ccc32)cc1
InChIInChI=1S/C50H33FN4/c51-36-22-26-38(27-23-36)55-46-17-9-6-13-40(46)43-31-35(21-29-48(43)55)34-20-28-47-42(30-34)39-12-5-8-16-45(39)54(47)37-24-18-33(19-25-37)50-52-44-15-7-4-14-41(44)49(53-50)32-10-2-1-3-11-32/h1-31,49H,(H,52,53)
InChIKeyUIYVRVNYSLVREA-UHFFFAOYSA-N
XLogP12.46
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.84
LogP ≤ 512.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 144925897
5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole
CID 137245095
18,18-dimethyl-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 136934762
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
3-phenyl-28-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 163591893
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole (CID 136631150) is 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5=Nc6ccccc6C(c6ccccc6)N5)cc4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole?
The InChIKey is UIYVRVNYSLVREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33FN4/c51-36-22-26-38(27-23-36)55-46-17-9-6-13-40(46)43-31-35(21-29-48(43)55)34-20-28-47-42(30-34)39-12-5-8-16-45(39)54(47)37-24-18-33(19-25-37)50-52-44-15-7-4-14-41(44)49(53-50)32-10-2-1-3-11-32/h1-31,49H,(H,52,53).
What are the key properties of 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole?
3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole has a molecular weight of 708.84 g/mol, XLogP of 12.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 136631150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).