3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

C39H23N — CID 58309487

IUPAC3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4c5ccccc5ncc4c4cccc-3c24)cc1
InChIInChI=1S/C39H23N/c1-3-12-24(13-4-1)35-27-17-7-8-18-28(27)36(25-14-5-2-6-15-25)39-32-22-31-26-16-9-10-21-34(26)40-23-33(31)29-19-11-20-30(37(29)32)38(35)39/h1-23H
InChIKeyUWZZYRQFXZQHHD-UHFFFAOYSA-N
MW505.62 g/mol
LogP10.68
Rot. Bonds2

About 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene

3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (PubChem CID 58309487) has the molecular formula C39H23N and a molecular weight of 505.62 g/mol. Its IUPAC name is 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.

Molecular Properties

Compound Name3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
PubChem CID58309487
Molecular FormulaC39H23N
Molecular Weight505.62 g/mol
Exact Mass505.18
IUPAC Name3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4c5ccccc5ncc4c4cccc-3c24)cc1
InChIInChI=1S/C39H23N/c1-3-12-24(13-4-1)35-27-17-7-8-18-28(27)36(25-14-5-2-6-15-25)39-32-22-31-26-16-9-10-21-34(26)40-23-33(31)29-19-11-20-30(37(29)32)38(35)39/h1-23H
InChIKeyUWZZYRQFXZQHHD-UHFFFAOYSA-N
XLogP10.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene with MolForge

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Related Compounds

19-fluoranthen-8-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454238
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
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12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
7-perylen-3-yl-12-phenylbenzo[j]phenanthridine
CID 59183304
19-naphthalen-1-yl-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309805
19-iodo-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 163500447
21,28-diphenyldecacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31,35-octadecaene
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Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The IUPAC name of 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene (CID 58309487) is 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene.
What is the SMILES notation for 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The canonical SMILES for 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc4c5ccccc5ncc4c4cccc-3c24)cc1.
What is the InChIKey of 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
The InChIKey is UWZZYRQFXZQHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N/c1-3-12-24(13-4-1)35-27-17-7-8-18-28(27)36(25-14-5-2-6-15-25)39-32-22-31-26-16-9-10-21-34(26)40-23-33(31)29-19-11-20-30(37(29)32)38(35)39/h1-23H.
What are the key properties of 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene?
3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene has a molecular weight of 505.62 g/mol, XLogP of 10.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene is sourced from PubChem (CID 58309487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).