12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene

C61H37N3S — CID 156515291

IUPAC12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cc8c9ccccc9sc8c8nc9cc%10ccccc%10cc9n78)cc6)c6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C61H37N3S/c1-2-14-45(15-3-1)63-55-20-10-8-18-50(55)51-31-30-44(35-57(51)63)38-22-24-39(25-23-38)46-32-33-47(49-17-7-6-16-48(46)49)40-26-28-41(29-27-40)56-37-53-52-19-9-11-21-59(52)65-60(53)61-62-54-34-42-12-4-5-13-43(42)36-58(54)64(56)61/h1-37H
InChIKeyCLMGOEWFBTUTDS-UHFFFAOYSA-N
MW844.06 g/mol
LogP16.93
Rot. Bonds5

About 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene

12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 156515291) has the molecular formula C61H37N3S and a molecular weight of 844.06 g/mol. Its IUPAC name is 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene
PubChem CID156515291
Molecular FormulaC61H37N3S
Molecular Weight844.06 g/mol
Exact Mass843.27
IUPAC Name12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cc8c9ccccc9sc8c8nc9cc%10ccccc%10cc9n78)cc6)c6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C61H37N3S/c1-2-14-45(15-3-1)63-55-20-10-8-18-50(55)51-31-30-44(35-57(51)63)38-22-24-39(25-23-38)46-32-33-47(49-17-7-6-16-48(46)49)40-26-28-41(29-27-40)56-37-53-52-19-9-11-21-59(52)65-60(53)61-62-54-34-42-12-4-5-13-43(42)36-58(54)64(56)61/h1-37H
InChIKeyCLMGOEWFBTUTDS-UHFFFAOYSA-N
XLogP16.93
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.06
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene with MolForge

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Related Compounds

16-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-17,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaene
CID 156514874
15-[4-(4-carbazol-9-ylphenyl)phenyl]-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 156514683
11-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
CID 156515028
12-(4-phenanthridin-3-ylphenyl)-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 156515303
15-(4-dibenzothiophen-4-ylphenyl)-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 156514900
3-(4-benzo[h]quinolin-6-ylphenyl)-12-thia-2,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.018,27.020,25]octacosa-1(28),3,5(13),6,8,10,14,16,18,20,22,24,26-tridecaene
CID 156514824
12-[4-[4-(4-triphenylen-2-ylphenyl)naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(24),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 156515368
16-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-17,32-diazaoctacyclo[15.15.0.02,14.04,13.07,12.018,31.021,30.022,27]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,18(31),19,21(30),22,24,26,28-pentadecaene
CID 156514639
11-[4-(4-phenanthridin-3-ylnaphthalen-1-yl)phenyl]-20-thia-3,10-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 156514984
16-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thia-17,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaene
CID 156514732
16-(9-phenylcarbazol-2-yl)-21-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13(18),14,16,19,22,24,26,28-tetradecaene
CID 118616201
11-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2,4,6,8,11,14(23),15,17,19,21-undecaene
CID 156515240

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The IUPAC name of 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene (CID 156515291) is 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene.
What is the SMILES notation for 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The canonical SMILES for 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cc8c9ccccc9sc8c8nc9cc%10ccccc%10cc9n78)cc6)c6ccccc56)cc4)cc32)cc1.
What is the InChIKey of 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The InChIKey is CLMGOEWFBTUTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3S/c1-2-14-45(15-3-1)63-55-20-10-8-18-50(55)51-31-30-44(35-57(51)63)38-22-24-39(25-23-38)46-32-33-47(49-17-7-6-16-48(46)49)40-26-28-41(29-27-40)56-37-53-52-19-9-11-21-59(52)65-60(53)61-62-54-34-42-12-4-5-13-43(42)36-58(54)64(56)61/h1-37H.
What are the key properties of 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene?
12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 844.06 g/mol, XLogP of 16.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 156515291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).