10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane

C60H49N3 — CID 142569178

IUPAC10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cc21.CCC
InChIInChI=1S/C57H41N3.C3H8/c1-57(2)50-27-10-8-23-45(50)46-31-30-41(35-51(46)57)39-19-12-18-38(33-39)40-20-13-21-42(34-40)44-25-14-26-47-48-32-29-36-15-6-7-22-43(36)54(48)60(55(44)47)56-58-52-28-11-9-24-49(52)53(59-56)37-16-4-3-5-17-37;1-3-2/h3-7,9-22,24-35H,8,23H2,1-2H3;3H2,1-2H3
InChIKeyVQYBROIVOKNVLJ-UHFFFAOYSA-N
MW812.07 g/mol
LogP16.36
Rot. Bonds5

About 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane

10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane (PubChem CID 142569178) has the molecular formula C60H49N3 and a molecular weight of 812.07 g/mol. Its IUPAC name is 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane.

Molecular Properties

Compound Name10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane
PubChem CID142569178
Molecular FormulaC60H49N3
Molecular Weight812.07 g/mol
Exact Mass811.39
IUPAC Name10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cc21.CCC
InChIInChI=1S/C57H41N3.C3H8/c1-57(2)50-27-10-8-23-45(50)46-31-30-41(35-51(46)57)39-19-12-18-38(33-39)40-20-13-21-42(34-40)44-25-14-26-47-48-32-29-36-15-6-7-22-43(36)54(48)60(55(44)47)56-58-52-28-11-9-24-49(52)53(59-56)37-16-4-3-5-17-37;1-3-2/h3-7,9-22,24-35H,8,23H2,1-2H3;3H2,1-2H3
InChIKeyVQYBROIVOKNVLJ-UHFFFAOYSA-N
XLogP16.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142568970
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
10-(9,9-dimethylfluoren-2-yl)-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552638
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163588387
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571600
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene
CID 118602137
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
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
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
3-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163789043

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane?
The IUPAC name of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane (CID 142569178) is 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane.
What is the SMILES notation for 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane?
The canonical SMILES for 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane is CC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cc21.CCC.
What is the InChIKey of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane?
The InChIKey is VQYBROIVOKNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3.C3H8/c1-57(2)50-27-10-8-23-45(50)46-31-30-41(35-51(46)57)39-19-12-18-38(33-39)40-20-13-21-42(34-40)44-25-14-26-47-48-32-29-36-15-6-7-22-43(36)54(48)60(55(44)47)56-58-52-28-11-9-24-49(52)53(59-56)37-16-4-3-5-17-37;1-3-2/h3-7,9-22,24-35H,8,23H2,1-2H3;3H2,1-2H3.
What are the key properties of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane?
10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane has a molecular weight of 812.07 g/mol, XLogP of 16.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole;propane is sourced from PubChem (CID 142569178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).