10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine

C99H72N12 — CID 153482873

IUPAC10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccnc(-c3cc(-c4nccc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)n4)cc(-c4nccc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)n4)c3)n2)c2ccccc21
InChIInChI=1S/C99H72N12/c1-97(2)73-28-10-19-37-85(73)106(86-38-20-11-29-74(86)97)64-43-46-82-70(58-64)67-25-7-16-34-79(67)109(82)91-49-52-100-94(103-91)61-55-62(95-101-53-50-92(104-95)110-80-35-17-8-26-68(80)71-59-65(44-47-83(71)110)107-87-39-21-12-30-75(87)98(3,4)76-31-13-22-40-88(76)107)57-63(56-61)96-102-54-51-93(105-96)111-81-36-18-9-27-69(81)72-60-66(45-48-84(72)111)108-89-41-23-14-32-77(89)99(5,6)78-33-15-24-42-90(78)108/h7-60H,1-6H3
InChIKeyVWOCFZZMSIALIT-UHFFFAOYSA-N
MW1429.75 g/mol
LogP24.68
Rot. Bonds9

About 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine

10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine (PubChem CID 153482873) has the molecular formula C99H72N12 and a molecular weight of 1429.75 g/mol. Its IUPAC name is 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
PubChem CID153482873
Molecular FormulaC99H72N12
Molecular Weight1429.75 g/mol
Exact Mass1428.60
IUPAC Name10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccnc(-c3cc(-c4nccc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)n4)cc(-c4nccc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)n4)c3)n2)c2ccccc21
InChIInChI=1S/C99H72N12/c1-97(2)73-28-10-19-37-85(73)106(86-38-20-11-29-74(86)97)64-43-46-82-70(58-64)67-25-7-16-34-79(67)109(82)91-49-52-100-94(103-91)61-55-62(95-101-53-50-92(104-95)110-80-35-17-8-26-68(80)71-59-65(44-47-83(71)110)107-87-39-21-12-30-75(87)98(3,4)76-31-13-22-40-88(76)107)57-63(56-61)96-102-54-51-93(105-96)111-81-36-18-9-27-69(81)72-60-66(45-48-84(72)111)108-89-41-23-14-32-77(89)99(5,6)78-33-15-24-42-90(78)108/h7-60H,1-6H3
InChIKeyVWOCFZZMSIALIT-UHFFFAOYSA-N
XLogP24.68
TPSA101.85 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.75
LogP ≤ 524.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

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
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
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
14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213528
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189

Frequently Asked Questions

What is the IUPAC name of 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine (CID 153482873) is 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccnc(-c3cc(-c4nccc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)n4)cc(-c4nccc(-n5c6ccccc6c6cc(N7c8ccccc8C(C)(C)c8ccccc87)ccc65)n4)c3)n2)c2ccccc21.
What is the InChIKey of 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine?
The InChIKey is VWOCFZZMSIALIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H72N12/c1-97(2)73-28-10-19-37-85(73)106(86-38-20-11-29-74(86)97)64-43-46-82-70(58-64)67-25-7-16-34-79(67)109(82)91-49-52-100-94(103-91)61-55-62(95-101-53-50-92(104-95)110-80-35-17-8-26-68(80)71-59-65(44-47-83(71)110)107-87-39-21-12-30-75(87)98(3,4)76-31-13-22-40-88(76)107)57-63(56-61)96-102-54-51-93(105-96)111-81-36-18-9-27-69(81)72-60-66(45-48-84(72)111)108-89-41-23-14-32-77(89)99(5,6)78-33-15-24-42-90(78)108/h7-60H,1-6H3.
What are the key properties of 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine?
10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine has a molecular weight of 1429.75 g/mol, XLogP of 24.68, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 153482873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).