15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine

C76H53N — CID 154939128

IUPAC15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine
SMILESC=C/C=C\c1c(C)c(-c2ccccc2)c2c(c1-c1ccccc1)-c1cc3c(c4cccc-2c14)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C76H53N/c1-3-4-36-63-51(2)70(56-28-15-7-16-29-56)74-66-38-23-37-65-72(66)67(75(74)71(63)57-30-17-8-18-31-57)50-69-73(65)64-48-47-62(49-68(64)76(69,58-32-19-9-20-33-58)59-34-21-10-22-35-59)77(60-43-39-54(40-44-60)52-24-11-5-12-25-52)61-45-41-55(42-46-61)53-26-13-6-14-27-53/h3-50H,1H2,2H3/b36-4-
InChIKeyOYPNRJOLAZQNTK-VWPWYRHJSA-N
MW980.27 g/mol
LogP20.50
Rot. Bonds11

About 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine

15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine (PubChem CID 154939128) has the molecular formula C76H53N and a molecular weight of 980.27 g/mol. Its IUPAC name is 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine.

Molecular Properties

Compound Name15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine
PubChem CID154939128
Molecular FormulaC76H53N
Molecular Weight980.27 g/mol
Exact Mass979.42
IUPAC Name15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine
SMILESC=C/C=C\c1c(C)c(-c2ccccc2)c2c(c1-c1ccccc1)-c1cc3c(c4cccc-2c14)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C76H53N/c1-3-4-36-63-51(2)70(56-28-15-7-16-29-56)74-66-38-23-37-65-72(66)67(75(74)71(63)57-30-17-8-18-31-57)50-69-73(65)64-48-47-62(49-68(64)76(69,58-32-19-9-20-33-58)59-34-21-10-22-35-59)77(60-43-39-54(40-44-60)52-24-11-5-12-25-52)61-45-41-55(42-46-61)53-26-13-6-14-27-53/h3-50H,1H2,2H3/b36-4-
InChIKeyOYPNRJOLAZQNTK-VWPWYRHJSA-N
XLogP20.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.27
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine with MolForge

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Related Compounds

N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 145276711
3,10-bis(2,4-dimethylphenyl)-N,N,24,24-tetraphenylheptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2,4,6,8,10,12,14,16(27),17(25),18(23),19,21-tridecaen-21-amine
CID 154939134
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 126712785
5-N,5-N,18-N,18-N,8,8,21,21-octakis-phenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59182752
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylphenyl)fluoren-2-amine
CID 134528088
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
3-[(1Z)-buta-1,3-dienyl]-2,6,6-trimethyl-N,N-bis(4-phenylphenyl)indeno[2,1-g][1]benzofuran-8-amine
CID 87689648
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
23-[(1Z)-buta-1,3-dienyl]-24-methyl-4,4-diphenyl-25-oxaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene
CID 134171643
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346

Frequently Asked Questions

What is the IUPAC name of 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine?
The IUPAC name of 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine (CID 154939128) is 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine.
What is the SMILES notation for 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine?
The canonical SMILES for 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine is C=C/C=C\c1c(C)c(-c2ccccc2)c2c(c1-c1ccccc1)-c1cc3c(c4cccc-2c14)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine?
The InChIKey is OYPNRJOLAZQNTK-VWPWYRHJSA-N. The full InChI is InChI=1S/C76H53N/c1-3-4-36-63-51(2)70(56-28-15-7-16-29-56)74-66-38-23-37-65-72(66)67(75(74)71(63)57-30-17-8-18-31-57)50-69-73(65)64-48-47-62(49-68(64)76(69,58-32-19-9-20-33-58)59-34-21-10-22-35-59)77(60-43-39-54(40-44-60)52-24-11-5-12-25-52)61-45-41-55(42-46-61)53-26-13-6-14-27-53/h3-50H,1H2,2H3/b36-4-.
What are the key properties of 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine?
15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine has a molecular weight of 980.27 g/mol, XLogP of 20.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(1Z)-buta-1,3-dienyl]-16-methyl-9,9,14,17-tetraphenyl-N,N-bis(4-phenylphenyl)hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-amine is sourced from PubChem (CID 154939128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).