25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene

C44H25N5 — CID 129274548

IUPAC25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c6c7cccc8c9nc%10ccccc%10nc9n(c6ccc54)c87)cc32)cc1
InChIInChI=1S/C44H25N5/c1-2-11-26(12-3-1)47-35-19-8-4-13-28(35)29-22-21-27(25-39(29)47)48-36-20-9-5-14-30(36)40-37(48)23-24-38-41(40)31-15-10-16-32-42-44(49(38)43(31)32)46-34-18-7-6-17-33(34)45-42/h1-25H
InChIKeyFFORENQVXFAHNL-UHFFFAOYSA-N
MW623.72 g/mol
LogP10.97
Rot. Bonds2

About 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene

25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene (PubChem CID 129274548) has the molecular formula C44H25N5 and a molecular weight of 623.72 g/mol. Its IUPAC name is 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene.

Molecular Properties

Compound Name25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
PubChem CID129274548
Molecular FormulaC44H25N5
Molecular Weight623.72 g/mol
Exact Mass623.21
IUPAC Name25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c6c7cccc8c9nc%10ccccc%10nc9n(c6ccc54)c87)cc32)cc1
InChIInChI=1S/C44H25N5/c1-2-11-26(12-3-1)47-35-19-8-4-13-28(35)29-22-21-27(25-39(29)47)48-36-20-9-5-14-30(36)40-37(48)23-24-38-41(40)31-15-10-16-32-42-44(49(38)43(31)32)46-34-18-7-6-17-33(34)45-42/h1-25H
InChIKeyFFORENQVXFAHNL-UHFFFAOYSA-N
XLogP10.97
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.72
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene with MolForge

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Related Compounds

9-phenyl-21-(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-undecaen-21-yl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 126577852
29-phenyl-1,3,10,29-tetrazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.022,30.023,28]tetratriaconta-2,4,6,8,10,12,14,16,18,20(34),21(33),22(30),23,25,27,31-hexadecaene
CID 118930871
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
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
10,33-diphenyl-10,15,22,33-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
CID 159338083
14-dibenzothiophen-2-yl-25-phenyl-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129274547
19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
CID 159653309
4,32-diphenyl-4,15,22,32-tetrazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene
CID 159338082
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
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
21-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-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 126577842
19,34-diphenyl-2,9,19,34-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.027,35.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27(35),28,30,32-hexadecaene
CID 159807385

Frequently Asked Questions

What is the IUPAC name of 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
The IUPAC name of 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene (CID 129274548) is 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene.
What is the SMILES notation for 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
The canonical SMILES for 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c6c7cccc8c9nc%10ccccc%10nc9n(c6ccc54)c87)cc32)cc1.
What is the InChIKey of 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
The InChIKey is FFORENQVXFAHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5/c1-2-11-26(12-3-1)47-35-19-8-4-13-28(35)29-22-21-27(25-39(29)47)48-36-20-9-5-14-30(36)40-37(48)23-24-38-41(40)31-15-10-16-32-42-44(49(38)43(31)32)46-34-18-7-6-17-33(34)45-42/h1-25H.
What are the key properties of 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene?
25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene has a molecular weight of 623.72 g/mol, XLogP of 10.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(9-phenylcarbazol-2-yl)-1,3,10,25-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene is sourced from PubChem (CID 129274548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).