16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene

C41H25N5 — CID 146631472

IUPAC16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
SMILESc1ccc(-n2c3ncccc3c3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4-c4nccnc4-c4ccccc4-5)c32)cc1
InChIInChI=1S/C41H25N5/c1-2-11-26(12-3-1)46-40-34(18-10-22-44-40)37-33-17-8-9-19-36(33)45(41(37)46)27-20-21-30-28-13-4-6-15-31(28)38-39(43-24-23-42-38)32-16-7-5-14-29(32)35(30)25-27/h1-25H/b30-28-,35-29-,38-31+,39-32+
InChIKeySQHJCPWTCGSSPP-ROHRBELFSA-N
MW587.69 g/mol
LogP9.89
Rot. Bonds2

About 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene

16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene (PubChem CID 146631472) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
PubChem CID146631472
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
SMILESc1ccc(-n2c3ncccc3c3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4-c4nccnc4-c4ccccc4-5)c32)cc1
InChIInChI=1S/C41H25N5/c1-2-11-26(12-3-1)46-40-34(18-10-22-44-40)37-33-17-8-9-19-36(33)45(41(37)46)27-20-21-30-28-13-4-6-15-31(28)38-39(43-24-23-42-38)32-16-7-5-14-29(32)35(30)25-27/h1-25H/b30-28-,35-29-,38-31+,39-32+
InChIKeySQHJCPWTCGSSPP-ROHRBELFSA-N
XLogP9.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene with MolForge

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Related Compounds

10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
9-phenylpyrido[2,3-b]indole
CID 15939260
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
11,16-di(carbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428203
10-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 134428704
11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
CID 140920345
2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide
CID 140758977
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene
CID 140932114

Frequently Asked Questions

What is the IUPAC name of 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
The IUPAC name of 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene (CID 146631472) is 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
The canonical SMILES for 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene is c1ccc(-n2c3ncccc3c3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4-c4nccnc4-c4ccccc4-5)c32)cc1.
What is the InChIKey of 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
The InChIKey is SQHJCPWTCGSSPP-ROHRBELFSA-N. The full InChI is InChI=1S/C41H25N5/c1-2-11-26(12-3-1)46-40-34(18-10-22-44-40)37-33-17-8-9-19-36(33)45(41(37)46)27-20-21-30-28-13-4-6-15-31(28)38-39(43-24-23-42-38)32-16-7-5-14-29(32)35(30)25-27/h1-25H/b30-28-,35-29-,38-31+,39-32+.
What are the key properties of 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene?
16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene has a molecular weight of 587.69 g/mol, XLogP of 9.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 146631472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).