9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole

C71H43N — CID 137493933

IUPAC9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cccc(-c6ccc7c8c(ccc7c6)-c6c(ccc7ccccc67)C86c7ccccc7-c7ccccc76)c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C71H43N/c1-2-20-50(21-3-1)72-65-32-15-12-25-55(65)61-43-49(36-40-66(61)72)68-58-28-8-6-26-56(58)67(57-27-7-9-29-59(57)68)48-19-16-18-45(42-48)46-33-37-52-47(41-46)34-38-60-69-51-22-5-4-17-44(51)35-39-64(69)71(70(52)60)62-30-13-10-23-53(62)54-24-11-14-31-63(54)71/h1-43H
InChIKeyFWXRJXRYOHCTHE-UHFFFAOYSA-N
MW910.13 g/mol
LogP18.74
Rot. Bonds4

About 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole

9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole (PubChem CID 137493933) has the molecular formula C71H43N and a molecular weight of 910.13 g/mol. Its IUPAC name is 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
PubChem CID137493933
Molecular FormulaC71H43N
Molecular Weight910.13 g/mol
Exact Mass909.34
IUPAC Name9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cccc(-c6ccc7c8c(ccc7c6)-c6c(ccc7ccccc67)C86c7ccccc7-c7ccccc76)c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C71H43N/c1-2-20-50(21-3-1)72-65-32-15-12-25-55(65)61-43-49(36-40-66(61)72)68-58-28-8-6-26-56(58)67(57-27-7-9-29-59(57)68)48-19-16-18-45(42-48)46-33-37-52-47(41-46)34-38-60-69-51-22-5-4-17-44(51)35-39-64(69)71(70(52)60)62-30-13-10-23-53(62)54-24-11-14-31-63(54)71/h1-43H
InChIKeyFWXRJXRYOHCTHE-UHFFFAOYSA-N
XLogP18.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.13
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole with MolForge

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Related Compounds

9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole
CID 137493499
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3-[10-(25,25-diphenyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole
CID 121431082
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-3-yl)spiro[benzo[c]fluorene-7,7'-indeno[1,2-a]carbazole]
CID 118613583
3-[10-[3-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 121430566
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
2,4-diphenyl-6-[4-[6'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14(19),15,17,20-decaene]-17'-yl]phenyl]pyrimidine
CID 137493411
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 137493557
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole (CID 137493933) is 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cccc(-c6ccc7c8c(ccc7c6)-c6c(ccc7ccccc67)C86c7ccccc7-c7ccccc76)c5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole?
The InChIKey is FWXRJXRYOHCTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43N/c1-2-20-50(21-3-1)72-65-32-15-12-25-55(65)61-43-49(36-40-66(61)72)68-58-28-8-6-26-56(58)67(57-27-7-9-29-59(57)68)48-19-16-18-45(42-48)46-33-37-52-47(41-46)34-38-60-69-51-22-5-4-17-44(51)35-39-64(69)71(70(52)60)62-30-13-10-23-53(62)54-24-11-14-31-63(54)71/h1-43H.
What are the key properties of 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole?
9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole has a molecular weight of 910.13 g/mol, XLogP of 18.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole is sourced from PubChem (CID 137493933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).