11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine

C56H43N — CID 91007170

IUPAC11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2ccccc2-c2c1ccc1c(-c3c4ccccc4c(N4c5ccccc5CCc5ccccc54)c4ccccc34)cc3c(c21)-c1ccccc1C3(C)C
InChIInChI=1S/C56H43N/c1-55(2)44-25-13-11-23-41(44)51-46(55)32-31-38-43(33-47-52(53(38)51)42-24-12-14-26-45(42)56(47,3)4)50-36-19-7-9-21-39(36)54(40-22-10-8-20-37(40)50)57-48-27-15-5-17-34(48)29-30-35-18-6-16-28-49(35)57/h5-28,31-33H,29-30H2,1-4H3
InChIKeyCJXLALGNFKHJIU-UHFFFAOYSA-N
MW729.97 g/mol
LogP14.99
Rot. Bonds2

About 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 91007170) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID91007170
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC Name11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)c2ccccc2-c2c1ccc1c(-c3c4ccccc4c(N4c5ccccc5CCc5ccccc54)c4ccccc34)cc3c(c21)-c1ccccc1C3(C)C
InChIInChI=1S/C56H43N/c1-55(2)44-25-13-11-23-41(44)51-46(55)32-31-38-43(33-47-52(53(38)51)42-24-12-14-26-45(42)56(47,3)4)50-36-19-7-9-21-39(36)54(40-22-10-8-20-37(40)50)57-48-27-15-5-17-34(48)29-30-35-18-6-16-28-49(35)57/h5-28,31-33H,29-30H2,1-4H3
InChIKeyCJXLALGNFKHJIU-UHFFFAOYSA-N
XLogP14.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

11-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 88549554
10-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]phenothiazine
CID 89002344
9-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]carbazole
CID 89002353
12-(10-fluoranthen-3-ylanthracen-9-yl)-9,9,17,17-tetramethylhexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 90923293
10-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]phenoxazine
CID 59196124
5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
CID 59195940
1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
CID 59195882
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
CID 59196394
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220942

Frequently Asked Questions

What is the IUPAC name of 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 91007170) is 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine is CC1(C)c2ccccc2-c2c1ccc1c(-c3c4ccccc4c(N4c5ccccc5CCc5ccccc54)c4ccccc34)cc3c(c21)-c1ccccc1C3(C)C.
What is the InChIKey of 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is CJXLALGNFKHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)44-25-13-11-23-41(44)51-46(55)32-31-38-43(33-47-52(53(38)51)42-24-12-14-26-45(42)56(47,3)4)50-36-19-7-9-21-39(36)54(40-22-10-8-20-37(40)50)57-48-27-15-5-17-34(48)29-30-35-18-6-16-28-49(35)57/h5-28,31-33H,29-30H2,1-4H3.
What are the key properties of 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 729.97 g/mol, XLogP of 14.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-(9,9,17,17-tetramethyl-12-hexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaenyl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 91007170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).