9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole

C54H32N2O2 — CID 129309079

IUPAC9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc7c(cc5-6)Oc5ccccc5O7)ccc43)cc2)nc1
InChIInChI=1S/C54H32N2O2/c1-4-14-43-37(11-1)38-12-2-5-15-44(38)54(43)45-30-35(22-26-39(45)41-31-52-53(32-46(41)54)58-51-19-8-7-18-50(51)57-52)34-23-27-49-42(29-34)40-13-3-6-17-48(40)56(49)36-24-20-33(21-25-36)47-16-9-10-28-55-47/h1-32H
InChIKeyRBOLRTWJOWSSDS-UHFFFAOYSA-N
MW740.86 g/mol
LogP13.75
Rot. Bonds3

About 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole

9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole (PubChem CID 129309079) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole.

Molecular Properties

Compound Name9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole
PubChem CID129309079
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc7c(cc5-6)Oc5ccccc5O7)ccc43)cc2)nc1
InChIInChI=1S/C54H32N2O2/c1-4-14-43-37(11-1)38-12-2-5-15-44(38)54(43)45-30-35(22-26-39(45)41-31-52-53(32-46(41)54)58-51-19-8-7-18-50(51)57-52)34-23-27-49-42(29-34)40-13-3-6-17-48(40)56(49)36-24-20-33(21-25-36)47-16-9-10-28-55-47/h1-32H
InChIKeyRBOLRTWJOWSSDS-UHFFFAOYSA-N
XLogP13.75
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382

Frequently Asked Questions

What is the IUPAC name of 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole?
The IUPAC name of 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole (CID 129309079) is 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole.
What is the SMILES notation for 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole?
The canonical SMILES for 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc7c(cc5-6)Oc5ccccc5O7)ccc43)cc2)nc1.
What is the InChIKey of 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole?
The InChIKey is RBOLRTWJOWSSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-4-14-43-37(11-1)38-12-2-5-15-44(38)54(43)45-30-35(22-26-39(45)41-31-52-53(32-46(41)54)58-51-19-8-7-18-50(51)57-52)34-23-27-49-42(29-34)40-13-3-6-17-48(40)56(49)36-24-20-33(21-25-36)47-16-9-10-28-55-47/h1-32H.
What are the key properties of 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole?
9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole has a molecular weight of 740.86 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole is sourced from PubChem (CID 129309079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).