ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole

C72H57N — CID 143924037

IUPACethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole
SMILESC/C=C\C=C/C1=C/Cc2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)cc2C(C)c2ccccc21.CC
InChIInChI=1S/C70H51N.C2H6/c1-3-4-6-20-48-35-36-50-43-52(70-63-31-15-13-29-61(63)69(49-22-7-5-8-23-49)62-30-14-16-32-64(62)70)37-40-58(50)59-41-39-53(45-65(59)46(2)54-25-11-12-26-55(48)54)71-67-34-18-17-28-60(67)66-44-51(38-42-68(66)71)57-33-19-24-47-21-9-10-27-56(47)57;1-2/h3-35,37-46H,36H2,1-2H3;1-2H3/b4-3-,20-6-,48-35-;
InChIKeySLDKRBCCDFNMOR-AMRTUVBNSA-N
MW936.26 g/mol
LogP20.16
Rot. Bonds6

About ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole

ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole (PubChem CID 143924037) has the molecular formula C72H57N and a molecular weight of 936.26 g/mol. Its IUPAC name is ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Nameethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole
PubChem CID143924037
Molecular FormulaC72H57N
Molecular Weight936.26 g/mol
Exact Mass935.45
IUPAC Nameethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole
SMILESC/C=C\C=C/C1=C/Cc2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)cc2C(C)c2ccccc21.CC
InChIInChI=1S/C70H51N.C2H6/c1-3-4-6-20-48-35-36-50-43-52(70-63-31-15-13-29-61(63)69(49-22-7-5-8-23-49)62-30-14-16-32-64(62)70)37-40-58(50)59-41-39-53(45-65(59)46(2)54-25-11-12-26-55(48)54)71-67-34-18-17-28-60(67)66-44-51(38-42-68(66)71)57-33-19-24-47-21-9-10-27-56(47)57;1-2/h3-35,37-46H,36H2,1-2H3;1-2H3/b4-3-,20-6-,48-35-;
InChIKeySLDKRBCCDFNMOR-AMRTUVBNSA-N
XLogP20.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.26
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole with MolForge

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Related Compounds

9-(9-methyl-9H-fluoren-2-yl)-10-phenylanthracene
CID 20822440
9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
9-(7-naphthalen-1-yl-9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475106
3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
CID 59245208
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-(6-naphthalen-1-yldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 158962666

Frequently Asked Questions

What is the IUPAC name of ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole?
The IUPAC name of ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole (CID 143924037) is ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole.
What is the SMILES notation for ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole?
The canonical SMILES for ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole is C/C=C\C=C/C1=C/Cc2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)cc2C(C)c2ccccc21.CC.
What is the InChIKey of ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole?
The InChIKey is SLDKRBCCDFNMOR-AMRTUVBNSA-N. The full InChI is InChI=1S/C70H51N.C2H6/c1-3-4-6-20-48-35-36-50-43-52(70-63-31-15-13-29-61(63)69(49-22-7-5-8-23-49)62-30-14-16-32-64(62)70)37-40-58(50)59-41-39-53(45-65(59)46(2)54-25-11-12-26-55(48)54)71-67-34-18-17-28-60(67)66-44-51(38-42-68(66)71)57-33-19-24-47-21-9-10-27-56(47)57;1-2/h3-35,37-46H,36H2,1-2H3;1-2H3/b4-3-,20-6-,48-35-;.
What are the key properties of ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole?
ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole has a molecular weight of 936.26 g/mol, XLogP of 20.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[(15Z)-8-methyl-15-[(1Z,3Z)-penta-1,3-dienyl]-20-(10-phenylanthracen-9-yl)-5-tetracyclo[16.4.0.02,7.09,14]docosa-1(18),2(7),3,5,9,11,13,15,19,21-decaenyl]-3-naphthalen-1-ylcarbazole is sourced from PubChem (CID 143924037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).