9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole

C60H41N3 — CID 144834685

IUPAC9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
SMILESC1=Cc2c(cccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c4)nc4ccccc34)cc2)CC1
InChIInChI=1S/C60H41N3/c1-4-16-40(17-5-1)46-34-35-57-54(37-46)55-39-48(41-18-6-2-7-19-41)38-53(43-20-8-3-9-21-43)59(55)63(57)49-25-14-24-47(36-49)60-61-56-29-13-12-27-52(56)58(62-60)45-32-30-44(31-33-45)51-28-15-23-42-22-10-11-26-50(42)51/h1-9,11-21,23-39H,10,22H2
InChIKeyCRAJMORSGNYUEQ-UHFFFAOYSA-N
MW804.01 g/mol
LogP15.69
Rot. Bonds7

About 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole

9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole (PubChem CID 144834685) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole.

Molecular Properties

Compound Name9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
PubChem CID144834685
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
SMILESC1=Cc2c(cccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c4)nc4ccccc34)cc2)CC1
InChIInChI=1S/C60H41N3/c1-4-16-40(17-5-1)46-34-35-57-54(37-46)55-39-48(41-18-6-2-7-19-41)38-53(43-20-8-3-9-21-43)59(55)63(57)49-25-14-24-47(36-49)60-61-56-29-13-12-27-52(56)58(62-60)45-32-30-44(31-33-45)51-28-15-23-42-22-10-11-26-50(42)51/h1-9,11-21,23-39H,10,22H2
InChIKeyCRAJMORSGNYUEQ-UHFFFAOYSA-N
XLogP15.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole
CID 163684121
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
CID 134236962
2-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170008977
9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole
CID 162723168
9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
CID 134594925
9-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236954
3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 166917771
10-(4-phenylphenyl)-15-[3-(4-phenylquinazolin-2-yl)phenyl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135165986

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole?
The IUPAC name of 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole (CID 144834685) is 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole.
What is the SMILES notation for 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole?
The canonical SMILES for 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole is C1=Cc2c(cccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c4)nc4ccccc34)cc2)CC1.
What is the InChIKey of 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole?
The InChIKey is CRAJMORSGNYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-4-16-40(17-5-1)46-34-35-57-54(37-46)55-39-48(41-18-6-2-7-19-41)38-53(43-20-8-3-9-21-43)59(55)63(57)49-25-14-24-47(36-49)60-61-56-29-13-12-27-52(56)58(62-60)45-32-30-44(31-33-45)51-28-15-23-42-22-10-11-26-50(42)51/h1-9,11-21,23-39H,10,22H2.
What are the key properties of 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole?
9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole has a molecular weight of 804.01 g/mol, XLogP of 15.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole is sourced from PubChem (CID 144834685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).