14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene

C46H26N4 — CID 126577962

IUPAC14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
SMILESc1ccc(-n2c3ccc(-c4cc5c6ccc7ccccc7c6n6c7nc8ccccc8nc7c(c4)c56)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C46H26N4/c1-2-12-31(13-3-1)49-41-23-20-29(24-36(41)34-21-18-27-10-4-6-14-32(27)43(34)49)30-25-37-35-22-19-28-11-5-7-15-33(28)44(35)50-45(37)38(26-30)42-46(50)48-40-17-9-8-16-39(40)47-42/h1-26H
InChIKeySTMYPACIDRHCJC-UHFFFAOYSA-N
MW634.74 g/mol
LogP11.85
Rot. Bonds2

About 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene

14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene (PubChem CID 126577962) has the molecular formula C46H26N4 and a molecular weight of 634.74 g/mol. Its IUPAC name is 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
PubChem CID126577962
Molecular FormulaC46H26N4
Molecular Weight634.74 g/mol
Exact Mass634.22
IUPAC Name14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
SMILESc1ccc(-n2c3ccc(-c4cc5c6ccc7ccccc7c6n6c7nc8ccccc8nc7c(c4)c56)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C46H26N4/c1-2-12-31(13-3-1)49-41-23-20-29(24-36(41)34-21-18-27-10-4-6-14-32(27)43(34)49)30-25-37-35-22-19-28-11-5-7-15-33(28)44(35)50-45(37)38(26-30)42-46(50)48-40-17-9-8-16-39(40)47-42/h1-26H
InChIKeySTMYPACIDRHCJC-UHFFFAOYSA-N
XLogP11.85
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene with MolForge

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Related Compounds

14-(9-phenylcarbazol-3-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577968
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
21-(7-phenylbenzo[g]carbazol-9-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577794
14-(9-methylcarbazol-3-yl)-26-phenyl-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 134386623
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
22-(9-phenylcarbazol-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577807
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
CID 138662821
21-(3,5-diphenylphenyl)-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-naphthalen-2-yl-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-(4-phenylphenyl)-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-phenyl-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene
CID 161051711
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965

Frequently Asked Questions

What is the IUPAC name of 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene?
The IUPAC name of 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene (CID 126577962) is 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene?
The canonical SMILES for 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene is c1ccc(-n2c3ccc(-c4cc5c6ccc7ccccc7c6n6c7nc8ccccc8nc7c(c4)c56)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene?
The InChIKey is STMYPACIDRHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4/c1-2-12-31(13-3-1)49-41-23-20-29(24-36(41)34-21-18-27-10-4-6-14-32(27)43(34)49)30-25-37-35-22-19-28-11-5-7-15-33(28)44(35)50-45(37)38(26-30)42-46(50)48-40-17-9-8-16-39(40)47-42/h1-26H.
What are the key properties of 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene?
14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene has a molecular weight of 634.74 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 126577962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).