8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene

C40H26N2 — CID 145314323

IUPAC8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
SMILESc1ccc2cc(-c3ccc(-n4c5ccccc5c5cccc6c7ccccc7n(c7ccccc74)c56)cc3)ccc2c1
InChIInChI=1S/C40H26N2/c1-2-11-29-26-30(21-20-27(29)10-1)28-22-24-31(25-23-28)41-36-16-5-3-12-32(36)34-14-9-15-35-33-13-4-6-17-37(33)42(40(34)35)39-19-8-7-18-38(39)41/h1-26H
InChIKeyRKNWORNBHNXGOG-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.73
Rot. Bonds2

About 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene

8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene (PubChem CID 145314323) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene.

Molecular Properties

Compound Name8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
PubChem CID145314323
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
SMILESc1ccc2cc(-c3ccc(-n4c5ccccc5c5cccc6c7ccccc7n(c7ccccc74)c56)cc3)ccc2c1
InChIInChI=1S/C40H26N2/c1-2-11-29-26-30(21-20-27(29)10-1)28-22-24-31(25-23-28)41-36-16-5-3-12-32(36)34-14-9-15-35-33-13-4-6-17-37(33)42(40(34)35)39-19-8-7-18-38(39)41/h1-26H
InChIKeyRKNWORNBHNXGOG-UHFFFAOYSA-N
XLogP10.73
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene with MolForge

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Related Compounds

12-(4-phenylphenyl)-12,19-diazaheptacyclo[17.10.1.02,11.04,9.013,18.020,25.026,30]triaconta-1(29),2,4,6,8,10,13,15,17,20,22,24,26(30),27-tetradecaene
CID 153245817
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 58690855
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
16-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 153449380
8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
CID 145314267
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179751
11-(4-phenylphenyl)-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868467
4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179733
4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179732
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N,4-bis(4-carbazol-9-ylphenyl)aniline
CID 118180068

Frequently Asked Questions

What is the IUPAC name of 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?
The IUPAC name of 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene (CID 145314323) is 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene.
What is the SMILES notation for 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?
The canonical SMILES for 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene is c1ccc2cc(-c3ccc(-n4c5ccccc5c5cccc6c7ccccc7n(c7ccccc74)c56)cc3)ccc2c1.
What is the InChIKey of 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?
The InChIKey is RKNWORNBHNXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-11-29-26-30(21-20-27(29)10-1)28-22-24-31(25-23-28)41-36-16-5-3-12-32(36)34-14-9-15-35-33-13-4-6-17-37(33)42(40(34)35)39-19-8-7-18-38(39)41/h1-26H.
What are the key properties of 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?
8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene has a molecular weight of 534.66 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-naphthalen-2-ylphenyl)-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene is sourced from PubChem (CID 145314323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).