27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene

C52H38N2 — CID 121355623

IUPAC27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene
SMILESCC1CC(C2(C)C=C3c4cc5ccccc5cc4-c4ccccc4-n4c3c(c3ccccc34)C2)=Cc2c1n(-c1cccc3ccccc13)c1ccccc21
InChIInChI=1S/C52H38N2/c1-32-26-36(29-43-39-20-8-11-23-48(39)53(50(32)43)46-25-13-17-33-14-5-6-18-37(33)46)52(2)30-44-40-21-9-12-24-49(40)54-47-22-10-7-19-38(47)41-27-34-15-3-4-16-35(34)28-42(41)45(31-52)51(44)54/h3-25,27-29,31-32H,26,30H2,1-2H3
InChIKeyZODILFZBYFGHIK-UHFFFAOYSA-N
MW690.89 g/mol
LogP13.45
Rot. Bonds2

About 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene

27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene (PubChem CID 121355623) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene.

Molecular Properties

Compound Name27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene
PubChem CID121355623
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene
SMILESCC1CC(C2(C)C=C3c4cc5ccccc5cc4-c4ccccc4-n4c3c(c3ccccc34)C2)=Cc2c1n(-c1cccc3ccccc13)c1ccccc21
InChIInChI=1S/C52H38N2/c1-32-26-36(29-43-39-20-8-11-23-48(39)53(50(32)43)46-25-13-17-33-14-5-6-18-37(33)46)52(2)30-44-40-21-9-12-24-49(40)54-47-22-10-7-19-38(47)41-27-34-15-3-4-16-35(34)28-42(41)45(31-52)51(44)54/h3-25,27-29,31-32H,26,30H2,1-2H3
InChIKeyZODILFZBYFGHIK-UHFFFAOYSA-N
XLogP13.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene with MolForge

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Related Compounds

3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
CID 134535308
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
9-[2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)phenyl]carbazole
CID 121287690
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157067206
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954

Frequently Asked Questions

What is the IUPAC name of 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene?
The IUPAC name of 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene (CID 121355623) is 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene.
What is the SMILES notation for 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene?
The canonical SMILES for 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene is CC1CC(C2(C)C=C3c4cc5ccccc5cc4-c4ccccc4-n4c3c(c3ccccc34)C2)=Cc2c1n(-c1cccc3ccccc13)c1ccccc21.
What is the InChIKey of 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene?
The InChIKey is ZODILFZBYFGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-32-26-36(29-43-39-20-8-11-23-48(39)53(50(32)43)46-25-13-17-33-14-5-6-18-37(33)46)52(2)30-44-40-21-9-12-24-49(40)54-47-22-10-7-19-38(47)41-27-34-15-3-4-16-35(34)28-42(41)45(31-52)51(44)54/h3-25,27-29,31-32H,26,30H2,1-2H3.
What are the key properties of 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene?
27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene has a molecular weight of 690.89 g/mol, XLogP of 13.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 27-methyl-27-(1-methyl-9-naphthalen-1-yl-1,2-dihydrocarbazol-3-yl)-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29)-tridecaene is sourced from PubChem (CID 121355623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).