6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene

C47H28N2O — CID 170252809

IUPAC6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
SMILESc1cc2c3c(c1)-c1cccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(c14)-c1cccc(c1-3)OC2
InChIInChI=1S/C47H28N2O/c1-2-9-29-24-33(21-18-28(29)8-1)48-40-15-4-3-11-34(40)38-25-30(19-22-41(38)48)31-20-23-42-39(26-31)37-14-6-13-36-35-12-5-10-32-27-50-44-17-7-16-43(46(44)45(32)35)49(42)47(36)37/h1-26H,27H2
InChIKeyNURILWIQQPXSTF-UHFFFAOYSA-N
MW636.75 g/mol
LogP12.24
Rot. Bonds2

About 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene

6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene (PubChem CID 170252809) has the molecular formula C47H28N2O and a molecular weight of 636.75 g/mol. Its IUPAC name is 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene.

Molecular Properties

Compound Name6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
PubChem CID170252809
Molecular FormulaC47H28N2O
Molecular Weight636.75 g/mol
Exact Mass636.22
IUPAC Name6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
SMILESc1cc2c3c(c1)-c1cccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(c14)-c1cccc(c1-3)OC2
InChIInChI=1S/C47H28N2O/c1-2-9-29-24-33(21-18-28(29)8-1)48-40-15-4-3-11-34(40)38-25-30(19-22-41(38)48)31-20-23-42-39(26-31)37-14-6-13-36-35-12-5-10-32-27-50-44-17-7-16-43(46(44)45(32)35)49(42)47(36)37/h1-26H,27H2
InChIKeyNURILWIQQPXSTF-UHFFFAOYSA-N
XLogP12.24
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene with MolForge

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Related Compounds

6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
CID 170252814
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
CID 145085430
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146

Frequently Asked Questions

What is the IUPAC name of 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?
The IUPAC name of 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene (CID 170252809) is 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene.
What is the SMILES notation for 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?
The canonical SMILES for 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene is c1cc2c3c(c1)-c1cccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(c14)-c1cccc(c1-3)OC2.
What is the InChIKey of 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?
The InChIKey is NURILWIQQPXSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O/c1-2-9-29-24-33(21-18-28(29)8-1)48-40-15-4-3-11-34(40)38-25-30(19-22-41(38)48)31-20-23-42-39(26-31)37-14-6-13-36-35-12-5-10-32-27-50-44-17-7-16-43(46(44)45(32)35)49(42)47(36)37/h1-26H,27H2.
What are the key properties of 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?
6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene has a molecular weight of 636.75 g/mol, XLogP of 12.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-naphthalen-2-ylcarbazol-3-yl)-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene is sourced from PubChem (CID 170252809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).