14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene

C44H28N2O — CID 134233700

IUPAC14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene
SMILESC=C1Oc2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C44H28N2O/c1-28-36-27-43-39(26-37(36)35-17-9-11-19-44(35)47-28)38-24-29(21-23-41(38)46(43)32-14-6-3-7-15-32)30-20-22-34-33-16-8-10-18-40(33)45(42(34)25-30)31-12-4-2-5-13-31/h2-27H,1H2
InChIKeyAIJQFHLZAPEVQX-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.58
Rot. Bonds3

About 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene

14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene (PubChem CID 134233700) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene.

Molecular Properties

Compound Name14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene
PubChem CID134233700
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene
SMILESC=C1Oc2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C44H28N2O/c1-28-36-27-43-39(26-37(36)35-17-9-11-19-44(35)47-28)38-24-29(21-23-41(38)46(43)32-14-6-3-7-15-32)30-20-22-34-33-16-8-10-18-40(33)45(42(34)25-30)31-12-4-2-5-13-31/h2-27H,1H2
InChIKeyAIJQFHLZAPEVQX-UHFFFAOYSA-N
XLogP11.58
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene with MolForge

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
21-phenyl-18-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448253
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606

Frequently Asked Questions

What is the IUPAC name of 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene?
The IUPAC name of 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene (CID 134233700) is 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene.
What is the SMILES notation for 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene?
The canonical SMILES for 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene is C=C1Oc2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene?
The InChIKey is AIJQFHLZAPEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-28-36-27-43-39(26-37(36)35-17-9-11-19-44(35)47-28)38-24-29(21-23-41(38)46(43)32-14-6-3-7-15-32)30-20-22-34-33-16-8-10-18-40(33)45(42(34)25-30)31-12-4-2-5-13-31/h2-27H,1H2.
What are the key properties of 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene?
14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene has a molecular weight of 600.72 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylidene-10-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),5,7,11,16,18,20-nonaene is sourced from PubChem (CID 134233700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).