6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene

C34H23N — CID 145032212

IUPAC6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene
SMILESC1=Cc2c(n(-c3ccccc3)c3c4cccc5c(-c6ccccc6)cc6cccc(c23)c6c54)CC1
InChIInChI=1S/C34H23N/c1-3-11-22(12-4-1)29-21-23-13-9-18-27-31(23)32-25(29)17-10-19-28(32)34-33(27)26-16-7-8-20-30(26)35(34)24-14-5-2-6-15-24/h1-7,9-19,21H,8,20H2
InChIKeyNGSOTJSCOUUIET-UHFFFAOYSA-N
MW445.57 g/mol
LogP9.15
Rot. Bonds2

About 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene

6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene (PubChem CID 145032212) has the molecular formula C34H23N and a molecular weight of 445.57 g/mol. Its IUPAC name is 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene.

Molecular Properties

Compound Name6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene
PubChem CID145032212
Molecular FormulaC34H23N
Molecular Weight445.57 g/mol
Exact Mass445.18
IUPAC Name6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene
SMILESC1=Cc2c(n(-c3ccccc3)c3c4cccc5c(-c6ccccc6)cc6cccc(c23)c6c54)CC1
InChIInChI=1S/C34H23N/c1-3-11-22(12-4-1)29-21-23-13-9-18-27-31(23)32-25(29)17-10-19-28(32)34-33(27)26-16-7-8-20-30(26)35(34)24-14-5-2-6-15-24/h1-7,9-19,21H,8,20H2
InChIKeyNGSOTJSCOUUIET-UHFFFAOYSA-N
XLogP9.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene with MolForge

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Related Compounds

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5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
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9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
CID 144976799
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
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CID 163490862
12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
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3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
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Frequently Asked Questions

What is the IUPAC name of 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene?
The IUPAC name of 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene (CID 145032212) is 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene.
What is the SMILES notation for 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene?
The canonical SMILES for 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene is C1=Cc2c(n(-c3ccccc3)c3c4cccc5c(-c6ccccc6)cc6cccc(c23)c6c54)CC1.
What is the InChIKey of 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene?
The InChIKey is NGSOTJSCOUUIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N/c1-3-11-22(12-4-1)29-21-23-13-9-18-27-31(23)32-25(29)17-10-19-28(32)34-33(27)26-16-7-8-20-30(26)35(34)24-14-5-2-6-15-24/h1-7,9-19,21H,8,20H2.
What are the key properties of 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene?
6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene has a molecular weight of 445.57 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-diphenyl-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14(19),15,22-decaene is sourced from PubChem (CID 145032212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).