6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole

C60H45N3 — CID 142569205

IUPAC6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole
SMILESCC1CC=C(c2cccc(-c3cccc(-c4cccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)c2)C2=C1C(C)(C)c1ccccc12
InChIInChI=1S/C60H45N3/c1-38-31-33-46(55-49-25-10-12-29-52(49)60(2,3)56(38)55)44-23-14-21-41(35-44)42-22-15-24-45(36-42)47-27-16-28-48-51-37-43(39-17-6-4-7-18-39)32-34-54(51)63(58(47)48)59-61-53-30-13-11-26-50(53)57(62-59)40-19-8-5-9-20-40/h4-30,32-38H,31H2,1-3H3
InChIKeyRZCMOIINNAEOSP-UHFFFAOYSA-N
MW808.04 g/mol
LogP15.56
Rot. Bonds6

About 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole

6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole (PubChem CID 142569205) has the molecular formula C60H45N3 and a molecular weight of 808.04 g/mol. Its IUPAC name is 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole
PubChem CID142569205
Molecular FormulaC60H45N3
Molecular Weight808.04 g/mol
Exact Mass807.36
IUPAC Name6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole
SMILESCC1CC=C(c2cccc(-c3cccc(-c4cccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)c2)C2=C1C(C)(C)c1ccccc12
InChIInChI=1S/C60H45N3/c1-38-31-33-46(55-49-25-10-12-29-52(49)60(2,3)56(38)55)44-23-14-21-41(35-44)42-22-15-24-45(36-42)47-27-16-28-48-51-37-43(39-17-6-4-7-18-39)32-34-54(51)63(58(47)48)59-61-53-30-13-11-26-50(53)57(62-59)40-19-8-5-9-20-40/h4-30,32-38H,31H2,1-3H3
InChIKeyRZCMOIINNAEOSP-UHFFFAOYSA-N
XLogP15.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
19-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142568396
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
15,15-dimethyl-6-(3-phenylphenyl)-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20-decaene
CID 118602162
19-(4,6-diphenylquinazolin-2-yl)-5,5-dimethyl-19-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene
CID 134337941

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole (CID 142569205) is 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole is CC1CC=C(c2cccc(-c3cccc(-c4cccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)c2)C2=C1C(C)(C)c1ccccc12.
What is the InChIKey of 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole?
The InChIKey is RZCMOIINNAEOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3/c1-38-31-33-46(55-49-25-10-12-29-52(49)60(2,3)56(38)55)44-23-14-21-41(35-44)42-22-15-24-45(36-42)47-27-16-28-48-51-37-43(39-17-6-4-7-18-39)32-34-54(51)63(58(47)48)59-61-53-30-13-11-26-50(53)57(62-59)40-19-8-5-9-20-40/h4-30,32-38H,31H2,1-3H3.
What are the key properties of 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole?
6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole has a molecular weight of 808.04 g/mol, XLogP of 15.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142569205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).