10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine

C63H44N2O2 — CID 70821588

IUPAC10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3c4c(c(-c5cccc6ccccc56)c5cc(N6c7ccccc7Oc7ccccc76)ccc35)=CCC(N3c5ccccc5Oc5ccccc53)C=4)c21
InChIInChI=1S/C63H44N2O2/c1-63(2)51-24-6-5-20-43(51)47-22-16-23-48(62(47)63)61-46-36-34-40(64-52-25-7-11-29-56(52)66-57-30-12-8-26-53(57)64)37-49(46)60(44-21-15-18-39-17-3-4-19-42(39)44)45-35-33-41(38-50(45)61)65-54-27-9-13-31-58(54)67-59-32-14-10-28-55(59)65/h3-32,34-38,41H,33H2,1-2H3
InChIKeyRDUYFCPAPLROAS-UHFFFAOYSA-N
MW861.06 g/mol
LogP15.49
Rot. Bonds4

About 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine

10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine (PubChem CID 70821588) has the molecular formula C63H44N2O2 and a molecular weight of 861.06 g/mol. Its IUPAC name is 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine
PubChem CID70821588
Molecular FormulaC63H44N2O2
Molecular Weight861.06 g/mol
Exact Mass860.34
IUPAC Name10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3c4c(c(-c5cccc6ccccc56)c5cc(N6c7ccccc7Oc7ccccc76)ccc35)=CCC(N3c5ccccc5Oc5ccccc53)C=4)c21
InChIInChI=1S/C63H44N2O2/c1-63(2)51-24-6-5-20-43(51)47-22-16-23-48(62(47)63)61-46-36-34-40(64-52-25-7-11-29-56(52)66-57-30-12-8-26-53(57)64)37-49(46)60(44-21-15-18-39-17-3-4-19-42(39)44)45-35-33-41(38-50(45)61)65-54-27-9-13-31-58(54)67-59-32-14-10-28-55(59)65/h3-32,34-38,41H,33H2,1-2H3
InChIKeyRDUYFCPAPLROAS-UHFFFAOYSA-N
XLogP15.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.06
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine (CID 70821588) is 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine is CC1(C)c2ccccc2-c2cccc(-c3c4c(c(-c5cccc6ccccc56)c5cc(N6c7ccccc7Oc7ccccc76)ccc35)=CCC(N3c5ccccc5Oc5ccccc53)C=4)c21.
What is the InChIKey of 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine?
The InChIKey is RDUYFCPAPLROAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O2/c1-63(2)51-24-6-5-20-43(51)47-22-16-23-48(62(47)63)61-46-36-34-40(64-52-25-7-11-29-56(52)66-57-30-12-8-26-53(57)64)37-49(46)60(44-21-15-18-39-17-3-4-19-42(39)44)45-35-33-41(38-50(45)61)65-54-27-9-13-31-58(54)67-59-32-14-10-28-55(59)65/h3-32,34-38,41H,33H2,1-2H3.
What are the key properties of 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine?
10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine has a molecular weight of 861.06 g/mol, XLogP of 15.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-yl-6-phenoxazin-10-yl-2,3-dihydroanthracen-2-yl]phenoxazine is sourced from PubChem (CID 70821588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).