10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine

C99H72N12O3 — CID 147337883

IUPAC10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccnc(-c3cc(-c4nccc(N5c6ccccc6C(C)(C)c6cc(N7c8ccccc8Oc8ccccc87)ccc65)n4)cc(-c4nccc(N5c6ccccc6C(C)(C)c6cc(N7c8ccccc8Oc8ccccc87)ccc65)n4)c3)n2)c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C99H72N12O3/c1-97(2)67-25-7-10-28-73(67)109(76-46-43-64(58-70(76)97)106-79-31-13-19-37-85(79)112-86-38-20-14-32-80(86)106)91-49-52-100-94(103-91)61-55-62(95-101-53-50-92(104-95)110-74-29-11-8-26-68(74)98(3,4)71-59-65(44-47-77(71)110)107-81-33-15-21-39-87(81)113-88-40-22-16-34-82(88)107)57-63(56-61)96-102-54-51-93(105-96)111-75-30-12-9-27-69(75)99(5,6)72-60-66(45-48-78(72)111)108-83-35-17-23-41-89(83)114-90-42-24-18-36-84(90)108/h7-60H,1-6H3
InChIKeyDCXGVWOUPDOXBB-UHFFFAOYSA-N
MW1477.75 g/mol
LogP26.11
Rot. Bonds9

About 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine

10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine (PubChem CID 147337883) has the molecular formula C99H72N12O3 and a molecular weight of 1477.75 g/mol. Its IUPAC name is 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine
PubChem CID147337883
Molecular FormulaC99H72N12O3
Molecular Weight1477.75 g/mol
Exact Mass1476.59
IUPAC Name10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccnc(-c3cc(-c4nccc(N5c6ccccc6C(C)(C)c6cc(N7c8ccccc8Oc8ccccc87)ccc65)n4)cc(-c4nccc(N5c6ccccc6C(C)(C)c6cc(N7c8ccccc8Oc8ccccc87)ccc65)n4)c3)n2)c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C99H72N12O3/c1-97(2)67-25-7-10-28-73(67)109(76-46-43-64(58-70(76)97)106-79-31-13-19-37-85(79)112-86-38-20-14-32-80(86)106)91-49-52-100-94(103-91)61-55-62(95-101-53-50-92(104-95)110-74-29-11-8-26-68(74)98(3,4)71-59-65(44-47-77(71)110)107-81-33-15-21-39-87(81)113-88-40-22-16-34-82(88)107)57-63(56-61)96-102-54-51-93(105-96)111-75-30-12-9-27-69(75)99(5,6)72-60-66(45-48-78(72)111)108-83-35-17-23-41-89(83)114-90-42-24-18-36-84(90)108/h7-60H,1-6H3
InChIKeyDCXGVWOUPDOXBB-UHFFFAOYSA-N
XLogP26.11
TPSA124.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.75
LogP ≤ 526.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine?
The IUPAC name of 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine (CID 147337883) is 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine.
What is the SMILES notation for 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine?
The canonical SMILES for 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine is CC1(C)c2ccccc2N(c2ccnc(-c3cc(-c4nccc(N5c6ccccc6C(C)(C)c6cc(N7c8ccccc8Oc8ccccc87)ccc65)n4)cc(-c4nccc(N5c6ccccc6C(C)(C)c6cc(N7c8ccccc8Oc8ccccc87)ccc65)n4)c3)n2)c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine?
The InChIKey is DCXGVWOUPDOXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H72N12O3/c1-97(2)67-25-7-10-28-73(67)109(76-46-43-64(58-70(76)97)106-79-31-13-19-37-85(79)112-86-38-20-14-32-80(86)106)91-49-52-100-94(103-91)61-55-62(95-101-53-50-92(104-95)110-74-29-11-8-26-68(74)98(3,4)71-59-65(44-47-77(71)110)107-81-33-15-21-39-87(81)113-88-40-22-16-34-82(88)107)57-63(56-61)96-102-54-51-93(105-96)111-75-30-12-9-27-69(75)99(5,6)72-60-66(45-48-78(72)111)108-83-35-17-23-41-89(83)114-90-42-24-18-36-84(90)108/h7-60H,1-6H3.
What are the key properties of 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine?
10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine has a molecular weight of 1477.75 g/mol, XLogP of 26.11, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-[2-[3,5-bis[4-(9,9-dimethyl-2-phenoxazin-10-ylacridin-10-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]-9,9-dimethylacridin-2-yl]phenoxazine is sourced from PubChem (CID 147337883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).