2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine

C72H52N4 — CID 144799051

IUPAC2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c4ccccc4c3c2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H52N4/c1-71(2)59-25-11-17-31-67(59)75(69-39-35-47(43-61(69)71)73-63-27-13-7-21-53(63)54-22-8-14-28-64(54)73)45-33-37-51-52-38-34-46(42-58(52)50-20-6-5-19-49(50)57(51)41-45)76-68-32-18-12-26-60(68)72(3,4)62-44-48(36-40-70(62)76)74-65-29-15-9-23-55(65)56-24-10-16-30-66(56)74/h5-44H,1-4H3
InChIKeyYNSFVZIJUHYSDO-UHFFFAOYSA-N
MW973.24 g/mol
LogP19.56
Rot. Bonds4

About 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine

2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine (PubChem CID 144799051) has the molecular formula C72H52N4 and a molecular weight of 973.24 g/mol. Its IUPAC name is 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
PubChem CID144799051
Molecular FormulaC72H52N4
Molecular Weight973.24 g/mol
Exact Mass972.42
IUPAC Name2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c4ccccc4c3c2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H52N4/c1-71(2)59-25-11-17-31-67(59)75(69-39-35-47(43-61(69)71)73-63-27-13-7-21-53(63)54-22-8-14-28-64(54)73)45-33-37-51-52-38-34-46(42-58(52)50-20-6-5-19-49(50)57(51)41-45)76-68-32-18-12-26-60(68)72(3,4)62-44-48(36-40-70(62)76)74-65-29-15-9-23-55(65)56-24-10-16-30-66(56)74/h5-44H,1-4H3
InChIKeyYNSFVZIJUHYSDO-UHFFFAOYSA-N
XLogP19.56
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.24
LogP ≤ 519.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 159694810
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine (CID 144799051) is 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c4ccccc4c3c2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine?
The InChIKey is YNSFVZIJUHYSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N4/c1-71(2)59-25-11-17-31-67(59)75(69-39-35-47(43-61(69)71)73-63-27-13-7-21-53(63)54-22-8-14-28-64(54)73)45-33-37-51-52-38-34-46(42-58(52)50-20-6-5-19-49(50)57(51)41-45)76-68-32-18-12-26-60(68)72(3,4)62-44-48(36-40-70(62)76)74-65-29-15-9-23-55(65)56-24-10-16-30-66(56)74/h5-44H,1-4H3.
What are the key properties of 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine?
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine has a molecular weight of 973.24 g/mol, XLogP of 19.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 144799051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).