8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene

C49H32N4O — CID 168787466

IUPAC8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
SMILESCC1(C)c2cc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4ccccc34)ccc2-n2c3c1cccc3c1oc3ccccc3c12
InChIInChI=1S/C49H32N4O/c1-49(2)37-19-12-18-35-45(37)53(46-34-17-8-11-22-43(34)54-47(35)46)42-26-23-29(28-38(42)49)44-33-16-6-9-20-39(33)50-48(51-44)30-24-25-41-36(27-30)32-15-7-10-21-40(32)52(41)31-13-4-3-5-14-31/h3-28H,1-2H3
InChIKeyMJUHFFXHGHILSH-UHFFFAOYSA-N
MW692.82 g/mol
LogP12.54
Rot. Bonds3

About 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene

8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene (PubChem CID 168787466) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene.

Molecular Properties

Compound Name8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
PubChem CID168787466
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
SMILESCC1(C)c2cc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4ccccc34)ccc2-n2c3c1cccc3c1oc3ccccc3c12
InChIInChI=1S/C49H32N4O/c1-49(2)37-19-12-18-35-45(37)53(46-34-17-8-11-22-43(34)54-47(35)46)42-26-23-29(28-38(42)49)44-33-16-6-9-20-39(33)50-48(51-44)30-24-25-41-36(27-30)32-15-7-10-21-40(32)52(41)31-13-4-3-5-14-31/h3-28H,1-2H3
InChIKeyMJUHFFXHGHILSH-UHFFFAOYSA-N
XLogP12.54
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene with MolForge

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Related Compounds

5-[2-(3-carbazol-9-ylphenyl)quinazolin-4-yl]-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787420
8,8-dimethyl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
CID 168787331
8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-21-thia-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787495
5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787350
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-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159061
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
7,7-dimethyl-5-phenyl-2-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134594832
12-[3-[6-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126631023

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene?
The IUPAC name of 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene (CID 168787466) is 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene.
What is the SMILES notation for 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene?
The canonical SMILES for 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene is CC1(C)c2cc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4ccccc34)ccc2-n2c3c1cccc3c1oc3ccccc3c12.
What is the InChIKey of 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene?
The InChIKey is MJUHFFXHGHILSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-49(2)37-19-12-18-35-45(37)53(46-34-17-8-11-22-43(34)54-47(35)46)42-26-23-29(28-38(42)49)44-33-16-6-9-20-39(33)50-48(51-44)30-24-25-41-36(27-30)32-15-7-10-21-40(32)52(41)31-13-4-3-5-14-31/h3-28H,1-2H3.
What are the key properties of 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene?
8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene has a molecular weight of 692.82 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene is sourced from PubChem (CID 168787466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).